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MassBank Record: KO003597

Norleucine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO003597
RECORD_TITLE: Norleucine; LC-ESI-QQ; MS2; CE:10 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 N014

CH$NAME: Norleucine
CH$NAME: L-Aminohexanoate
CH$NAME: L-Norleucine
CH$NAME: L-Aminohexanoic acid
CH$NAME: L-2-Aminohexanoate
CH$NAME: (S)-2-Aminohexanoic acid
CH$NAME: L-2-Aminohexanoic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H13NO2
CH$EXACT_MASS: 131.09463
CH$SMILES: CCCC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
CH$LINK: CAS 327-57-1
CH$LINK: CHEBI 18347
CH$LINK: CHEMPDB NLE
CH$LINK: KEGG C01933
CH$LINK: NIKKAJI J9.189H
CH$LINK: PUBCHEM SID:5038
CH$LINK: INCHIKEY LRQKBLKVPFOOQJ-YFKPBYRVSA-N
CH$LINK: COMPTOX DTXSID70883362

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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 132
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0019-9800000000-4de0171c5024396cbd77
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  49.900 1455447.0 16
  55.100 34653.5 1
  59.300 44554.5 1
  69.200 292079.5 3
  71.100 94059.5 1
  72.900 34653.5 1
  73.200 54455.5 1
  77.800 222772.5 2
  82.100 74257.5 1
  83.000 425743.0 5
  86.200 89836723.5 999
  90.900 24752.5 1
  97.000 420792.5 5
  100.200 455446.0 5
  103.800 24752.5 1
  113.800 202970.5 2
  115.300 8955454.5 100
  132.100 77415919.0 861
  150.000 69307.0 1
//

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