MassBank Record: KO000924

Home Search Record Index Data Privacy Imprint

Gly-Leu; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO000924
RECORD_TITLE: Gly-Leu; LC-ESI-QQ; MS2; CE:20 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: INCHIKEY DKEXFJVMVGETOO-LURJTMIESA-N
CH$LINK: KEGG C02155
CH$LINK: NIKKAJI J150.139I
CH$LINK: PUBCHEM SID:5232

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 20 V

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

PK$SPLASH: splash10-001u-0900000000-5bca6608db38d3ad7553
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  58.3 24752.5 1.0
  73.0 9836640.0 145.0
  82.3 113862.0 2.0
  84.4 118812.0 2.0
  86.2 861387.0 13.0
  112.5 84158.5 1.0
  114.1 1415840.0 21.0
  124.9 158416.0 2.0
  126.3 143564.0 2.0
  126.8 14851.5 1.0
  129.3 163366.0 2.0
  130.1 6.7752496E7 999.0
  139.3 34653.5 1.0
  141.1 430694.0 6.0
  143.2 3.60446E7 531.0
  151.1 267327.0 4.0
  169.1 321782.0 5.0
  187.1 3.71585E7 548.0
//