ACCESSION: MSBNK-Metabolon-MT000016
RECORD_TITLE: gamma-Glutamylleucine; LC-ESI-IT; MS2; m/z: 261.2; [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$NAME: gamma-Glutamylleucine
CH$COMPOUND_CLASS: Natural Product; Peptide
CH$FORMULA: C₁₁H₂₀N₂O₅
CH$EXACT_MASS: 260.13722
CH$SMILES: CC(C)CC(C(O)=O)NC(=O)CCC(N)C(O)=O
CH$IUPAC: InChI=1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h6-8H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1
CH$LINK: CAS 2566-39-4
CH$LINK: INCHIKEY MYFMARDICOWMQP-YUMQZZPRSA-N
CH$LINK: COMPTOX DTXSID30948542

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$FOCUSED_ION: PRECURSOR_M/Z 261.2
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5

PK$SPLASH: splash10-001i-1930000000-7a6ab5ea9b0d5ce7ba94
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  86.2 21.9 219
  87.2 0.2 2
  130.1 1.0 10
  132.1 100.0 999
  133.2 0.6 6
  148.1 0.8 8
  198.1 5.5 55
  215.1 0.6 6
  225.2 0.6 6
  243.1 5.7 57
  244.1 28.8 288
  245.2 0.4 4
//