MassBank Record: KO001522



 Norleucine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001522
RECORD_TITLE: Norleucine; 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 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
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 130 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-3900000000-b75779678a92cd599f0c PK$NUM_PEAK: 4 PK$PEAK: m/z int. rel.int. 79.800 69307.0 137 82.100 94059.5 186 84.100 44554.5 88 129.800 504951.0 999 //