MassBank Record: KO001989



 L-Valine; 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: KO001989
RECORD_TITLE: L-Valine; 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 V001

CH$NAME: Val CH$NAME: 2-Amino-3-methylbutyric acid CH$NAME: L-Valine CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H11NO2 CH$EXACT_MASS: 117.07898 CH$SMILES: CC(C)[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1 CH$LINK: CAS 72-18-4 CH$LINK: CHEBI 16414 CH$LINK: CHEMPDB VAL CH$LINK: KEGG C00183 CH$LINK: NIKKAJI J9.179K CH$LINK: PUBCHEM SID:3483
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-fd0315877791da7d0f73 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 44.800 14851.5 2 70.100 59406.0 10 72.100 59406.0 10 78.600 9901.0 2 116.100 6148521.0 999 //