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MassBank Record: KO003025

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: KO003025
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: 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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

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

PK$SPLASH: splash10-0019-9800000000-955d0cb4dc730f98f2b6
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  30.200 54455.5 1
  45.900 207921.0 4
  71.700 19802.0 1
  75.100 202970.5 4
  81.000 59406.0 1
  84.400 133663.5 2
  86.200 56896096.5 999
  87.400 29703.0 1
  95.200 24752.5 1
  98.000 39604.0 1
  101.500 19802.0 1
  113.000 29703.0 1
  116.200 54455.5 1
  126.000 316832.0 6
  128.700 39604.0 1
  132.100 31777259.5 558
  142.900 17371304.5 305
  144.000 2321784.5 41
  146.900 14851.5 1
  156.900 34653.5 1
  171.300 326733.0 6
  172.100 198020.0 3
  174.100 24752.5 1
  189.300 1227724.0 22
//

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