MassBank Record: KO001508



 Norvaline; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001508
RECORD_TITLE: Norvaline; 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 N009

CH$NAME: Norvaline CH$NAME: (S)-2-Aminopentanoic acid CH$NAME: L-2-Aminopentanoic acid CH$NAME: L-2-Aminovaleric acid CH$NAME: L-Norvaline CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H11NO2 CH$EXACT_MASS: 117.07898 CH$SMILES: CCC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 CH$LINK: CAS 6600-40-4 CH$LINK: CHEBI 18314 CH$LINK: KEGG C01826 CH$LINK: NIKKAJI J9.213D CH$LINK: PUBCHEM SID:4949
AC$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$FOCUSED_ION: PRECURSOR_M/Z 116 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-0900000000-4e82e4f432ac9f12cbcb PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 45.100 89109.0 3 59.000 168317.0 6 68.000 227723.0 8 70.000 594060.0 21 71.700 64356.5 2 98.400 74257.5 3 99.000 133663.5 5 114.400 54455.5 2 116.000 27762404.0 999 //