MassBank Record: KO000045



 Acetate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000045
RECORD_TITLE: Acetate; LC-ESI-QQ; MS2; CE:40 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 A029

CH$NAME: Acetate CH$NAME: Glacial acetic acid CH$NAME: Ethanoic acid CH$NAME: Acetic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C2H4O2 CH$EXACT_MASS: 60.02113 CH$SMILES: CC(O)=O CH$IUPAC: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4) CH$LINK: CAS 64-19-7 CH$LINK: CHEBI 30089 CH$LINK: CHEMPDB ACT CH$LINK: KEGG C00033 CH$LINK: NIKKAJI J2.355H CH$LINK: PUBCHEM SID:3335
AC$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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 59 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-9000000000-fb6d2f6298dd5bc37c2e PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 32.200 212871.5 218 41.200 207921.0 213 42.100 198020.0 203 44.100 49505.0 51 44.800 14851.5 15 48.800 24752.5 25 50.900 39604.0 41 52.800 54455.5 56 54.400 54455.5 56 55.800 89109.0 91 56.700 84158.5 86 57.500 202970.5 208 58.000 435644.0 446 59.100 975248.5 999 59.900 212871.5 218 60.700 39604.0 41 //