ACCESSION: MSBNK-Metabolon-MT000134
RECORD_TITLE: gamma-Glutamyltyrosine; LC-ESI-IT; MS2; m/z: 311.2; [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$NAME: gamma-Glutamyltyrosine
CH$COMPOUND_CLASS: Natural Product; Peptide
CH$FORMULA: C₁₄H₁₈N₂O₆
CH$EXACT_MASS: 310.11649
CH$SMILES: Oc(c1)ccc(c1)CC([H])(C(O)=O)NC(=O)CCC([H])(N)C(O)=O
CH$IUPAC: InChI=1S/C14H18N2O6/c15-10(13(19)20)5-6-12(18)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,18)(H,19,20)(H,21,22)/t10-,11-/m0/s1
CH$LINK: CAS 7432-23-7
CH$LINK: INCHIKEY VVLXCWVSSLFQDS-QWRGUYRKSA-N
CH$LINK: COMPTOX DTXSID00995841

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$FOCUSED_ION: PRECURSOR_M/Z 311.2
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5

PK$SPLASH: splash10-001i-0900000000-6ab9af8fad2893eaf075
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  91.2 0.1 1
  119.1 0.8 8
  123.1 0.6 6
  130.1 0.1 1
  136.1 8.6 86
  137.1 0.3 3
  147.1 1.6 16
  148.1 0.2 2
  150.2 0.1 1
  165.1 24.2 242
  166.1 0.7 7
  182.1 100.0 999
  183.1 2.6 26
  248.1 1.7 17
  265.0 0.3 3
  275.1 0.3 3
  293.1 1.8 18
  294.1 8.0 80
  295.2 0.4 4
//