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MassBank Record: KO003026

Gly-Leu; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO003026
RECORD_TITLE: Gly-Leu; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-000i-9000000000-dc63ae2d4fc2193e80f2
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  30.100 168317.0 3
  43.300 39604.0 1
  44.100 123762.5 2
  46.100 217822.0 4
  56.900 14851.5 1
  69.000 188119.0 4
  70.400 19802.0 1
  72.900 49505.0 1
  73.100 34653.5 1
  80.300 24752.5 1
  84.300 282178.5 5
  86.200 53658469.5 999
  87.400 14851.5 1
  97.200 29703.0 1
  98.000 103960.5 2
  99.100 64356.5 1
  104.200 29703.0 1
  112.800 574258.0 11
  113.800 59406.0 1
  126.200 386139.0 7
  130.200 39604.0 1
  132.100 1930695.0 36
  143.300 193069.5 4
  144.100 935644.5 17
  146.000 24752.5 1
//

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