MassBank Record: KO000924

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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: 188.116090000000014015313354320824146270751953125
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.
  58.300 24752.5 1
  73.000 9836643.5 145
  82.300 113861.5 2
  84.400 118812.0 2
  86.200 861387.0 13
  112.500 84158.5 1
  114.100 1415843.0 21
  124.900 158416.0 2
  126.300 143564.5 2
  126.800 14851.5 1
  129.300 163366.5 2
  130.100 67752543.0 999
  139.300 34653.5 1
  141.100 430693.5 6
  143.200 36044590.5 531
  151.100 267327.0 4
  169.100 321782.5 5
  187.100 37158453.0 548
//