I was taking a look at Jake's table of amino acid masses and found some 
differences for 15N labelled:

Maybe I made some mistake, but I think it is worth to take a look:

A 72.03415

R 160.10111

N 116.04293

D 116.02694

C 161.0307

E 130.04259

Q 130.05858

G 58.02146

H 140.05891

I 114.08406

L 114.08406

K 130.09496
M 132.04049

F 148.06841

P 98.05276

S 88.03203

T 102.04768

W 188.07931

Y 164.06333

V 100.06841

All the best,
Carlo




On Friday, November 21, 2008 at 12:31:53 AM UTC, Jake W wrote:
>
> Ah.  Thanks for that.  Still seem to have trouble, though.  So when I 
> run 
>
> run_in c:/Inetpub/wwwroot/ISB/data/ASAPRa 
> tioTesting20Nov08; xinteract  - 
> N240Min_50ppm_err_ASAP1.interact.pep.xml -p0 -l6 
> -x20 -OAp -A-lACDEFGHIKLMNPQRSTVWY-r0.05- 
> mA72.03415R160.10111N118.04293D117.0269 
> 4C105.00919E130.04259Q130.05858G59.02146H140.05891I116.08406L114.08406K130.09496
>  
>
> M133.04049F148.06841P98.05276S88.03203T102.04768W187.07931Y165.06333V101.06841
>  
>
> c 
> :/Inetpub/wwwroot/ISB/data/ 
> ASAPRatioTesting20Nov08/240Min_50ppm_err.tandem.pep.x 
> ml 
>
> I get: (I'll just put the ASAPRatio Parser output here, everything 
> else seems OK): 
>
> running: "C:/Inetpub/tpp-bin/ASAPRatioPeptideParser 
> "240Min_50ppm_err_ASAP1.inte 
> ract.pep.xml" -lACDEFGHIKLMNPQRSTVWY -r0.05 - 
> mA72.03415R160.10111N118.04293D117. 
> 02694C105.00919E130.04259Q130.05858G59.02146H140.05891I116.08406L114.08406K130.0
>  
>
> 9496M133.04049F148.06841P98.05276S88.03203T102.04768W187.07931Y165.06333V101.068
>  
>
> 41" 
> adjusting 143.004 to 143.059 
> label A: 0 vs 0 
> label D: 0 vs 0 
> label F: 0 vs 0 
> label G: 0 vs 0 
> label H: 0 vs 0 
> label I: 0 vs 0 
> label K: 0 vs 0 
> label L: 0 vs 0 
> label N: 0 vs 0 
> label P: 0 vs 0 
> label R: 0 vs 0 
> label S: 0 vs 0 
> label T: 0 vs 0 
> label V: 0 vs 0 
> label W: 0 vs 0 
> label Y: 0 vs 0 
> adjusting 143.004 to 143.059 
> (same repeated ~15 times) 
> adjusting 143.004 to 143.059 
> WARNING: Trying to compute mass of non-residue: r 
> WARNING: Trying to compute mass of non-residue: o 
> WARNING: Trying to compute mass of non-residue: t 
> WARNING: Trying to compute mass of non-residue: e 
> WARNING: Trying to compute mass of non-residue: i 
> adjusting 143.004 to 143.059 
> (same repeated ~20 times) 
> adjusting 143.004 to 143.059 
> command completed in 200 sec 
>
> running: "C:/Inetpub/tpp-bin/ASAPRatioProteinRatioParser 
> "240Min_50ppm_err_ASAP1 
> .interact.prot.xml"" 
> command completed in 297 sec 
>
> running: "C:/Inetpub/tpp-bin/ASAPRatioPvalueParser 
> "240Min_50ppm_err_ASAP1.inter 
> act.prot.xml"" 
> no pvalues available for this dataset 
> command completed in 1 sec 
>
> Any further ideas? 
>
> many thanks, 
> Jake 
>
>

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