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y:
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y:
 Garamond;display:none'><b>&#13;</b></span></div>
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ion:
 absolute;top:46.75%;left:49.25%;width:49.06%;height:4.0%'><span
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n>284.7804
 u</span></span><span style=3D'position:absolute;top:50.74%;left:49.25%;
 width:48.12%;height:4.0%'><span style=3D'font-family:Garamond'><span
 style=3D'mso-tab-count:1;width:20.77%'> </span>&#13;</span></span></div>
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y:
 Garamond'>integer mass<span style=3D'mso-tab-count:1;width:16.59%'> </span=
>-<span
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 top:58.75%;left:49.25%;width:48.12%;height:4.0%'><span style=3D'font-famil=
y:
 Garamond;display:none'>&#13;</span></div>
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y:
 Garamond'>monoisotopic mass<span style=3D'mso-tab-count:1;width:2.41%'> </=
span>-<span
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v>
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 top:66.75%;left:49.25%;width:48.12%;height:4.0%'><span style=3D'font-famil=
y:
 Garamond;display:none'>&#13;</span></div>
 <div style=3D'mso-char-wrap:0;mso-kinsoku-overflow:0;position:absolute;
 top:70.75%;left:49.25%;width:48.12%;height:4.0%'><span style=3D'font-famil=
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y:
 Garamond'>Correct unit is [</span><span style=3D'font-family:Garamond'><b>=
u</b></span><span
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an><span
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  href=3D"http://www1.bipm.org/en/si/si_brochure/chapter4/table7.html"/><a
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 target=3D"_parent" onclick=3D"window.event.cancelBubble=3Dtrue;">SI units<=
/a></span><span
 style=3D'font-family:Garamond;display:none'>&#13;</span></div>
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 top:24.75%;left:10.11%;width:79.58%;height:4.0%'><span style=3D'font-famil=
y:
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pan
 style=3D'font-family:Garamond'><span style=3D'mso-spacerun:yes'>&nbsp;</sp=
an>of
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mily:
 Garamond;font-size:67%;position:relative;top:-.45em;mso-text-raise:30%'>-2=
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:Garamond'>Always
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:Garamond'>For
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 style=3D'font-family:Garamond;font-size:44%'>InChIKey:</span><span
 style=3D'font-family:Garamond;font-size:44%'><p:onmouseclick hyperlinktype=
=3D"url"
  href=3D"http://www.google.com/search?q=3DCKAPSXZOOQJIBF"
  tips=3D"Search similar structures in Google"/><a
 title=3D"Search similar structures in Google"
 href=3D"http://www.google.com/search?q=3DCKAPSXZOOQJIBF" target=3D"_parent"
 onclick=3D"window.event.cancelBubble=3Dtrue;">CKAPSXZOOQJIBF</a></span><sp=
an
 style=3D'font-family:Garamond;font-size:44%'>-</span><span style=3D'font-f=
amily:
 Garamond;font-size:44%'><p:onmouseclick hyperlinktype=3D"url"
  href=3D"http://www.google.com/search?q=3DCKAPSXZOOQJIBF-UHFFFAOYAV"
  tips=3D"Search exact structure in Google"/><a
 title=3D"Search exact structure in Google"
 href=3D"http://www.google.com/search?q=3DCKAPSXZOOQJIBF-UHFFFAOYAV"
 target=3D"_parent" onclick=3D"window.event.cancelBubble=3Dtrue;">UHFFFAOYA=
V</a></span><span
 style=3D'font-family:Garamond;font-size:44%;mso-special-format:lastCR;
 display:none'>&#13;</span></div>
</p:slide></div>

<![if !ppt]>

<div id=3DNotesObj style=3D'display:none'>

<table style=3D'color:white' border=3D0 width=3D"100%">
 <tr>
  <td width=3D5 nowrap></td>
  <td width=3D"100%"></td>
 </tr>
 <tr>
  <td colspan=3D1></td>
  <td dir=3Dltr align=3Dleft colspan=3D1><font face=3DArial size=3D3>Inchik=
ey from
  Chemspider</font><br>
  </td>
 </tr>
</table>

</div>

<![endif]>
</body>

</html>

------=_NextPart_01C87D5A.7D30ADD0
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0%;
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nt-size:
 64%;mso-special-format:lastCR;display:none'>&#13;</span></div>
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-special-format:
 lastCR;display:none'>&#13;</span></div>
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 top:23.0%;left:5.99%;width:72.09%;height:4.0%'><span style=3D'font-family:=
Garamond'>Instruments
 must be calibrated to obtain high mass accuracy.&#13;</span></div>
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 top:27.0%;left:5.99%;width:76.02%;height:4.0%'><span style=3D'font-family:=
Garamond'>In
 case of FT-ICR-MS mass calibration can be stable over weeks.&#13;</span></=
div>
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 top:31.0%;left:5.99%;width:86.51%;height:4.0%'><span style=3D'font-family:=
Garamond'>Post-
 mass calibration can be performed if calibrant was run with samples.&#13;<=
/span></div>
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 top:35.0%;left:5.99%;width:72.09%;height:4.0%'><span style=3D'font-family:=
Garamond'>Mass
 of electron becomes important at around 500 Da. </span></div>
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0%;
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ion:
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 width:38.57%;height:4.0%'><span style=3D'font-family:Garamond'>separation =
of
 species with almost<br>
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ion:
 absolute;top:71.25%;left:9.36%;width:38.57%;height:4.0%'><span
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:Garamond'>
 be<br>
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al
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  stroked=3D"f" strokecolor=3D"black [1]">
  <v:fill color2=3D"white [0]"/>
  <v:shadow color=3D"gray [2]"/>
  <v:textbox style=3D'mso-fit-shape-to-text:t'/>
 </v:shape><v:shape id=3D"_x0000_s80906" type=3D"#_x0000_t202" style=3D'pos=
ition:absolute;
  left:508.75pt;top:335.625pt;width:99.75pt;height:26.5pt;mso-wrap-style:no=
ne;
  v-text-anchor:top-baseline' filled=3D"f" fillcolor=3D"#bbe0e3 [4]" stroke=
d=3D"f"
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 </v:shape><v:shape id=3D"_x0000_s80907" type=3D"#_x0000_t202" style=3D'pos=
ition:absolute;
  left:402pt;top:520.75pt;width:14.5pt;height:19.25pt;mso-wrap-style:none;
  v-text-anchor:top-baseline' filled=3D"f" fillcolor=3D"#bbe0e3 [4]" stroke=
d=3D"f"
  strokecolor=3D"black [1]">
  <v:fill color2=3D"white [0]"/>
  <v:shadow color=3D"gray [2]"/>
  <v:textbox style=3D'mso-fit-shape-to-text:t'/>
 </v:shape><v:shape id=3D"_x0000_s80908" type=3D"#_x0000_t202" style=3D'pos=
ition:absolute;
  left:408pt;top:520.75pt;width:143.25pt;height:19.25pt;mso-wrap-style:none;
  v-text-anchor:top-baseline' filled=3D"f" fillcolor=3D"#bbe0e3 [4]" stroke=
d=3D"f"
  strokecolor=3D"black [1]">
  <v:fill color2=3D"white [0]"/>
  <v:shadow color=3D"gray [2]"/>
  <v:textbox style=3D'mso-fit-shape-to-text:t'/>
 </v:shape>
 <div v:shape=3D"_x0000_s80904" class=3DO style=3D'mso-char-wrap:0;mso-kins=
oku-overflow:
 0;position:absolute;top:26.5%;left:70.97%;width:11.61%;height:3.5%'><span
 style=3D'font-family:Garamond;font-size:89%'><b>RP =3D 1700</b></span></di=
v>
 <div v:shape=3D"_x0000_s80906" class=3DO style=3D'mso-char-wrap:0;mso-kins=
oku-overflow:
 0;position:absolute;top:63.0%;left:71.72%;width:14.41%;height:3.5%'><span
 style=3D'font-family:Garamond;font-size:89%'><b>RP =3D 48,250 </b></span><=
/div>
 <div v:shape=3D"_x0000_s80908" class=3DO style=3D'mso-char-wrap:0;mso-kins=
oku-overflow:
 0;position:absolute;top:97.25%;left:57.67%;width:21.72%;height:2.25%'><span
 style=3D'font-family:Garamond;font-size:56%'>Example </span><span
 style=3D'font-family:Garamond;font-size:56%'><p:onmouseclick hyperlinktype=
=3D"url"
  href=3D"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3D30185"/=
><a
 href=3D"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3D30185"
 target=3D"_parent" onclick=3D"window.event.cancelBubble=3Dtrue;">Solanine =
</a></span><span
 style=3D'font-family:Garamond;font-size:56%'>(</span><span style=3D'font-f=
amily:
 Garamond;font-size:56%'>CID=3D30185)</span><span style=3D'font-family:Gara=
mond;
 font-size:56%'><p:onmouseclick hyperlinktype=3D"url"
  href=3D"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3D30185"/=
><a
 href=3D"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3D30185"
 target=3D"_parent" onclick=3D"window.event.cancelBubble=3Dtrue;"> </a></sp=
an><span
 style=3D'font-family:Garamond;font-size:56%;mso-special-format:lastCR;
 display:none'>&#13;</span></div>
</p:slide></div>

<![if !ppt]>

<div id=3DNotesObj style=3D'display:none'>

<table style=3D'color:white' border=3D0 width=3D"100%">
 <tr>
  <td width=3D5 nowrap></td>
  <td width=3D"100%"></td>
 </tr>
 <tr>
  <td colspan=3D1></td>
  <td dir=3Dltr align=3Dleft colspan=3D1><font face=3DArial size=3D3>* Curr=
ent
  instrumentation 1-2 milion RP</font><br>
  </td>
 </tr>
</table>

</div>

<![endif]>
</body>

</html>

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0%;
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 font-size:73%;color:#000066'><b>Isotopic Pattern Generators</b></span></di=
v>
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 top:16.5%;left:7.67%;width:81.64%;height:4.0%'><span style=3D'font-family:=
Garamond'>Elements
 can be <span style=3D'mso-tab-count:1;width:4.08%'> </span>a) </span><span
 lang=3DPL style=3D'font-family:Garamond'><b>monoisotopic</b></span><span l=
ang=3DPL
 style=3D'font-family:Garamond'> (F, Na, P, I)</span><span style=3D'font-fa=
mily:
 Garamond;display:none'>&#13;</span></div>
 <div style=3D'mso-char-wrap:0;mso-kinsoku-overflow:0;position:absolute;
 top:20.5%;left:7.67%;width:81.64%;height:4.0%'><span style=3D'font-family:=
Garamond'><span
 style=3D'mso-tab-count:2;width:24.49%'> </span>b) </span><span style=3D'fo=
nt-family:
 Garamond'><b>polyisotopic</b></span><span style=3D'font-family:Garamond'> =
(H, C,
 N, O, S, Cl, Br) &#13;</span></div>
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ion:
 absolute;top:24.5%;left:7.67%;width:97.94%;height:4.0%'><span
 style=3D'font-family:Garamond'>Isotopic pattern generators generate the is=
otopic
 abundances for a given mass value.<br>
  </span></span><span style=3D'position:absolute;top:28.49%;left:7.67%;
 width:85.95%;height:4.0%'><span style=3D'font-family:Garamond'>Calculation=
 is
 very time-consuming and based on Fast Fourier algorithms.</span></span></d=
iv>
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oku-overflow:
 0;position:absolute;top:94.0%;left:9.36%;width:35.39%;height:2.0%'><span
 style=3D'font-family:Garamond;font-size:44%'>Example: </span><span
 style=3D'font-family:Garamond;font-size:44%'><p:onmouseclick hyperlinktype=
=3D"url"
  href=3D"http://ncrr.pnl.gov/software/"/><a href=3D"http://ncrr.pnl.gov/so=
ftware/"
 target=3D"_parent" onclick=3D"window.event.cancelBubble=3Dtrue;">Molecular=
 Weight
 Calculator</a></span><span style=3D'font-family:Garamond;font-size:44%'> (=
</span><span
 style=3D'font-family:Garamond;font-size:44%'><p:onmouseclick hyperlinktype=
=3D"url"
  href=3D"http://www.alchemistmatt.com/"/><a href=3D"http://www.alchemistma=
tt.com/"
 target=3D"_parent" onclick=3D"window.event.cancelBubble=3Dtrue;">Matthew M=
onroe</a></span><span
 style=3D'font-family:Garamond;font-size:44%'> / PNNL)</span></div>
</p:slide></div>

<![if !ppt]>

<div id=3DNotesObj style=3D'display:none'>

<table style=3D'color:white' border=3D0 width=3D"100%">
 <tr>
  <td width=3D5 nowrap></td>
  <td width=3D"100%"></td>
 </tr>
 <tr>
  <td colspan=3D1></td>
  <td dir=3Dltr align=3Dleft colspan=3D1><font face=3DArial size=3D3>http:/=
/www.iupac.org/publications/pac/2003/pdf/7506x0683.pdf</font><br>
  </td>
 </tr>
 <tr>
  <td colspan=3D1></td>
  <td dir=3Dltr align=3Dleft colspan=3D1><br>
  </td>
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0%;
 left:5.99%;width:88.2%;height:7.0%'><span style=3D'font-family:Garamond;
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ne-spacing:
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:Garamond;
 font-size:78%;color:gray;mso-color-index:2'><b><span
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ne-spacing:
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y:
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 0";
 mso-char-wrap:0;mso-kinsoku-overflow:0'><span style=3D'position:absolute;
 top:27.5%;left:65.16%;width:33.89%;height:3.25%'><span style=3D'font-famil=
y:
 Garamond;font-size:78%;color:gray;mso-color-index:2'><b>Monoisotopic peaks=
 are
 shown on </b></span></span><span style=3D'position:absolute;top:30.5%;
 left:65.16%;width:31.27%;height:3.25%'><span style=3D'font-family:Garamond;
 font-size:78%;color:gray;mso-color-index:2'><b>the mass spectrum, where z =
=3D 1</b></span></span></div>
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 <div style=3D'mso-char-wrap:0;mso-kinsoku-overflow:0'><span style=3D'posit=
ion:
 absolute;top:65.25%;left:50.74%;width:45.69%;height:3.5%'><span
 style=3D'font-family:Garamond;font-size:89%;color:black;mso-color-index:3'=
>Example
 from </span><span style=3D'font-family:Garamond;font-size:89%;color:black;
 mso-color-index:3'><b>Decon2Ls</b></span><span style=3D'font-family:Garamo=
nd;
 font-size:89%;color:black;mso-color-index:3'> Tutorial (PNNL)<br>
  </span></span><span style=3D'position:absolute;top:68.75%;left:50.74%;
 width:41.01%;height:3.5%'><span style=3D'font-family:Garamond;font-size:89=
%;
 color:black;mso-color-index:3'>A Software Tool for Deconvolution of <br>
  </span></span><span style=3D'position:absolute;top:72.25%;left:50.74%;
 width:38.01%;height:3.5%'><span style=3D'font-family:Garamond;font-size:89=
%;
 color:black;mso-color-index:3'>High Resolution Mass Spectra&#13;</span></s=
pan></div>
 <div style=3D'mso-char-wrap:0;mso-kinsoku-overflow:0;position:absolute;
 top:76.0%;left:50.74%;width:38.01%;height:3.5%'><span style=3D'font-family=
:Garamond;
 font-size:89%;color:black;mso-color-index:3;display:none'>&#13;</span></di=
v>
 <div style=3D'mso-char-wrap:0;mso-kinsoku-overflow:0;position:absolute;
 top:79.5%;left:50.74%;width:41.76%;height:3.5%'><span style=3D'font-family=
:Garamond;
 font-size:89%;color:black;mso-color-index:3'>Peaks are detected and charge
 states are &#13;</span></div>
 <div style=3D'mso-char-wrap:0;mso-kinsoku-overflow:0;position:absolute;
 top:83.0%;left:50.74%;width:43.82%;height:3.5%'><span style=3D'font-family=
:Garamond;
 font-size:89%;color:black;mso-color-index:3'>automatically calculated for
 whole datasets</span></div>
 </div>
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oku-overflow:
 0;position:absolute;top:93.0%;left:51.87%;width:22.84%;height:3.5%'><span
 style=3D'font-family:Garamond;font-size:89%'>Download </span><span
 style=3D'font-family:Garamond;font-size:89%'><p:onmouseclick hyperlinktype=
=3D"url"
  href=3D"http://ncrr.pnl.gov/software/Decon2LS.stm"/><a
 href=3D"http://ncrr.pnl.gov/software/Decon2LS.stm" target=3D"_parent"
 onclick=3D"window.event.cancelBubble=3Dtrue;">Decon2LS</a></span><span
 style=3D'font-family:Garamond;font-size:89%;mso-special-format:lastCR;
 display:none'>&#13;</span></div>
 <div v:shape=3D"_x0000_s85016" class=3DO style=3D'mso-char-wrap:0;mso-kins=
oku-overflow:
 0;position:absolute;top:97.25%;left:74.9%;width:29.77%;height:2.25%'><span
 style=3D'font-family:Garamond;font-size:56%'>Picture sources: PNNL/ </span=
><span
 style=3D'font-family:Garamond;font-size:56%;color:black;mso-color-index:3'=
><b>Decon2Ls</b></span><span
 style=3D'font-family:Garamond;font-size:56%;color:black;mso-color-index:3'>
 Tutorial</span><span style=3D'font-family:Garamond;font-size:56%'> </span>=
</div>
</p:slide></div>

<![if !ppt]>

<div id=3DNotesObj style=3D'display:none'>

<table style=3D'color:white' border=3D0 width=3D"100%">
 <tr>
  <td width=3D5 nowrap></td>
  <td width=3D"100%"></td>
 </tr>
 <tr>
  <td colspan=3D1></td>
  <td dir=3Dltr align=3Dleft colspan=3D1><font face=3DArial size=3D3>VEMS<s=
pan
  style=3D'mso-spacerun:yes'>&nbsp; </span>- http://yass.sdu.dk</font><br>
  </td>
 </tr>
 <tr>
  <td colspan=3D1></td>
  <td dir=3Dltr align=3Dleft colspan=3D1><br>
  </td>
 </tr>
 <tr>
  <td colspan=3D1></td>
  <td dir=3Dltr align=3Dleft colspan=3D1><font face=3DArial size=3D3>Promas=
s &#8211;
  ZNOVA</font><br>
  </td>
 </tr>
 <tr>
  <td colspan=3D1></td>
  <td dir=3Dltr align=3Dleft colspan=3D1><font face=3DArial size=3D3>ZSCORE=
 magtran</font><br>
  </td>
 </tr>
 <tr>
  <td colspan=3D1></td>
  <td dir=3Dltr align=3Dleft colspan=3D1><font face=3DArial size=3D3>Footpr=
int</font><br>
  </td>
 </tr>
 <tr>
  <td colspan=3D1></td>
  <td dir=3Dltr align=3Dleft colspan=3D1><font face=3DArial size=3D3>Maxent=
</font><br>
  </td>
 </tr>
 <tr>
  <td colspan=3D1></td>
  <td dir=3Dltr align=3Dleft colspan=3D1><font face=3DArial size=3D3>memsys=
5</font><br>
  </td>
 </tr>
 <tr>
  <td colspan=3D1></td>
  <td dir=3Dltr align=3Dleft colspan=3D1><br>
  </td>
 </tr>
</table>

</div>

<![endif]>
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</html>

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