ACCESSION: MSBNK-Keio_Univ-KO000926
RECORD_TITLE: Gly-Leu; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID G071

CH$NAME: Gly-Leu
CH$NAME: Glycyl-L-leucine
CH$NAME: Glycyl-leucine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆N₂O₃
CH$EXACT_MASS: 188.11609
CH$SMILES: NCC(=O)N[C@@H](CC(C)C)C(O)=O
CH$IUPAC: InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1
CH$LINK: CAS 869-19-2
CH$LINK: KEGG C02155
CH$LINK: NIKKAJI J150.139I
CH$LINK: PUBCHEM SID:5232
CH$LINK: INCHIKEY DKEXFJVMVGETOO-LURJTMIESA-N

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 187
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-00e9-9500000000-d2ee0ebfb6482a620efc
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  42.100 108911.0 30
  44.100 198020.0 54
  54.900 54455.5 15
  56.300 49505.0 14
  59.400 24752.5 7
  66.200 128713.0 35
  73.100 3648518.5 999
  79.700 24752.5 7
  82.000 415842.0 114
  83.200 123762.5 34
  84.300 113861.5 31
  114.000 89109.0 24
  130.200 2797032.5 766
  141.200 39604.0 11
  142.800 113861.5 31
//