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MassBank Record: KO001521

Norleucine; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

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

ACCESSION: KO001521
RECORD_TITLE: Norleucine; 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 N014

CH$NAME: Norleucine
CH$NAME: L-Aminohexanoate
CH$NAME: L-2-Aminohexanoate
CH$NAME: L-Norleucine
CH$NAME: L-Aminohexanoic acid
CH$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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 130
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-001i-0900000000-95aa6e4bfc4283439983
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  44.800 49505.0 1
  79.800 19802.0 1
  82.200 425743.0 11
  84.300 633664.0 17
  112.900 143564.5 4
  127.900 69307.0 2
  128.800 29703.0 1
  130.000 38158454.0 999
//

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