MassBank Record: KO001996



 Valproic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001996
RECORD_TITLE: Valproic acid; 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 V003

CH$NAME: Valproate CH$NAME: Valproic acid (USP) CH$NAME: Depakene (TN) CH$NAME: Valproic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H16O2 CH$EXACT_MASS: 144.11503 CH$SMILES: CCCC(CCC)C(O)=O CH$IUPAC: InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) CH$LINK: CAS 99-66-1 CH$LINK: KEGG D00399 CH$LINK: NIKKAJI J4.972G CH$LINK: PUBCHEM SID:7847465
AC$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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 143 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-0900000000-39a45d4e3201082d9d89 PK$NUM_PEAK: 3 PK$PEAK: m/z int. rel.int. 70.800 19802.0 6 96.800 39604.0 11 143.300 3559409.5 999 //