ACCESSION: MSBNK-Metabolon-MT000109
RECORD_TITLE: gamma-Glutamylmethionine; LC-ESI-IT; MS2; m/z: 279.1; [M+H]+
DATE: 2016.01.19 (Created 2009.08.07, modified 2012.10.30)
AUTHORS: Evans A M, Mitchell M, DeHaven C D, Barrett T, Milgram E, Metabolon Inc.
LICENSE: CC BY-NC-ND
COPYRIGHT: Copyright (C) 2003-2009 Metabolon, Inc.

CH$NAME: gamma-Glutamylmethionine
CH$COMPOUND_CLASS: Natural Product; Peptide
CH$FORMULA: C₁₀H₁₈N₂O₅S
CH$EXACT_MASS: 278.09364
CH$SMILES: CSCCC([H])(C(O)=O)NC(=O)CCC([H])(N)C(O)=O
CH$IUPAC: InChI=1S/C10H18N2O5S/c1-18-5-4-7(10(16)17)12-8(13)3-2-6(11)9(14)15/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)/t6-,7-/m0/s1
CH$LINK: CAS 17663-87-5
CH$LINK: INCHIKEY RQNSKRXMANOPQY-BQBZGAKWSA-N

AC$INSTRUMENT: LTQ XL, Thermo Finnigan
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_M/Z 279.1
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5

PK$SPLASH: splash10-0udi-0940000000-8a513a6938717b030bb7
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  87.2 0.1 1
  91.2 0.2 2
  102.2 0.6 6
  104.1 7.3 73
  105.1 0.3 3
  117.2 0.1 1
  127.1 0.1 1
  130.1 0.3 3
  133.1 23.6 236
  134.1 0.1 1
  148.4 0.4 4
  149.1 20.7 207
  150.1 100.0 999
  151.1 0.2 2
  155.1 0.2 2
  161.2 0.1 1
  163.1 0.1 1
  167.0 1.0 10
  188.0 1.4 14
  189.1 0.1 1
  191.1 0.2 2
  201.0 0.2 2
  202.0 0.1 1
  203.0 0.5 5
  204.3 3.5 35
  204.9 46.2 462
  205.8 0.4 4
  207.2 0.1 1
  215.1 0.1 1
  216.1 2.2 22
  217.1 0.1 1
  218.2 0.2 2
  219.0 0.6 6
  221.3 0.1 1
  222.5 0.3 3
  223.2 0.9 9
  229.3 0.1 1
  231.4 0.1 1
  232.1 0.9 9
  233.1 2.4 24
  234.1 0.5 5
  235.0 0.4 4
  236.1 0.5 5
  241.7 0.1 1
  242.4 0.1 1
  243.1 0.6 6
  244.1 0.1 1
  244.9 0.2 2
  246.0 0.9 9
  247.0 1.2 12
  248.0 0.3 3
  249.2 0.1 1
  249.9 0.1 1
  251.0 0.5 5
  252.0 0.6 6
  259.4 0.2 2
  260.0 2.0 20
  261.0 7.5 75
  262.1 9.9 99
  263.1 0.2 2
  263.8 0.1 1
  264.9 0.2 2
  279.0 0.2 2
//