MassBank Record: KO000770



 2-Furoic acid; 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: KO000770
RECORD_TITLE: 2-Furoic acid; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 111 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-9000000000-3ef00380e59fd05e13d7 PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 38.900 49505.0 2 40.900 475248.0 16 42.100 237624.0 8 45.800 39604.0 1 48.900 445545.0 15 54.700 19802.0 1 64.700 14851.5 1 67.100 30514882.0 999 80.700 69307.0 2 81.200 64356.5 2 82.900 262376.5 9 109.500 24752.5 1 111.100 1762378.0 58 //