ACCESSION: MSBNK-Metabolon-MT000057
RECORD_TITLE: gamma-Glutamylphenylalanine; LC-ESI-IT; MS2; m/z: 295.1; [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$NAME: gamma-Glutamylphenylalanine
CH$COMPOUND_CLASS: Natural Product; Peptide
CH$FORMULA: C₁₄H₁₈N₂O₅
CH$EXACT_MASS: 294.12157
CH$SMILES: OC(=O)C([H])(N)CCC(=O)NC([H])(C(O)=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C14H18N2O5/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)/t10-,11-/m0/s1
CH$LINK: CAS 7432-24-8
CH$LINK: HMDB HMDB00594
CH$LINK: INCHIKEY XHHOHZPNYFQJKL-QWRGUYRKSA-N
CH$LINK: COMPTOX DTXSID60995842

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$FOCUSED_ION: PRECURSOR_M/Z 295.1
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5

PK$SPLASH: splash10-014i-0900000000-3c15b0ec8b0aa7b4f562
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  93.2 0.2 2
  103.2 0.3 3
  120.1 23.8 238
  121.2 0.9 9
  130.2 0.2 2
  131.2 0.4 4
  148.0 0.2 2
  148.5 0.4 4
  149.1 0.8 8
  150.1 0.2 2
  166.1 100.0 999
  167.2 4.2 42
  186.2 0.2 2
  232.1 1.5 15
  233.0 0.1 1
  249.1 0.3 3
  259.2 0.3 3
  260.2 0.2 2
  263.1 0.2 2
  277.1 2.0 20
  278.1 7.8 78
  279.2 0.7 7
//