MassBank Record: KO000044



 Acetate; 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: KO000044
RECORD_TITLE: Acetate; 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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 59 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-9000000000-2bbab52cd9d076b89b2c PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 32.400 262376.5 20 39.500 9901.0 1 41.000 262376.5 20 41.900 282178.5 22 43.700 14851.5 1 56.200 103960.5 8 57.100 89109.0 7 58.000 297030.0 23 59.200 12866349.5 999 59.700 188119.0 15 //