MassBank Record: KO000771



 2-Furoic acid; 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: KO000771
RECORD_TITLE: 2-Furoic acid; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 111 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-9000000000-793fd8d927620ba879c4 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 39.000 163366.5 18 41.300 1113862.5 122 41.900 247525.0 27 49.200 2633666.0 288 64.900 138614.0 15 65.300 34653.5 4 67.100 9143573.5 999 78.700 39604.0 4 83.100 29703.0 3 96.300 19802.0 2 110.900 143564.5 16 //