MassBank Record: KO003027

Home Search Record Index Data Privacy Imprint

Gly-Leu; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO003027
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: 188.116090000000014015313354320824146270751953125
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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 189
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-9000000000-eab8ffe1748c1c1c95a2
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  30.300 242574.5 21
  40.400 44554.5 4
  43.000 589109.5 50
  43.900 801981.0 69
  46.100 158416.0 14
  58.300 19802.0 2
  64.700 34653.5 3
  69.300 306931.0 26
  73.100 69307.0 6
  80.200 34653.5 3
  80.900 49505.0 4
  84.300 153465.5 13
  86.300 11693081.0 999
  95.500 29703.0 3
  97.900 39604.0 3
  112.200 153465.5 13
  113.200 856436.5 73
  126.200 148515.0 13
  132.300 99010.0 8
  144.200 158416.0 14
//