MassBank Record: KO000772



 2-Furoic acid; 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: KO000772
RECORD_TITLE: 2-Furoic acid; 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 F020

CH$NAME: 2-Furoate CH$NAME: 2-Furancarboxylic acid CH$NAME: 2-Furoic acid CH$NAME: Pyromucic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H4O3 CH$EXACT_MASS: 112.01604 CH$SMILES: OC(=O)c(c1)occ1 CH$IUPAC: InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7) CH$LINK: CAS 88-14-2 CH$LINK: CHEBI 30845 CH$LINK: KEGG C01546 CH$LINK: NIKKAJI J4.288I CH$LINK: PUBCHEM SID:4705
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 111 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00kb-9000000000-41d0eb8e5d92a9c18133 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 39.100 54455.5 21 41.200 777228.5 298 42.200 173267.5 66 49.100 2608913.5 999 55.300 49505.0 19 65.000 326733.0 125 67.000 1891091.0 724 80.000 34653.5 13 //