ACCESSION: MSBNK-EPA-ENTACT_AGILENT000233
RECORD_TITLE: 5-Methyl-2-furancarboxylic acid; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 5-Methyl-2-furancarboxylic acid
CH$NAME: DTXSID5021627
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆O₃
CH$EXACT_MASS: 126.0316940583
CH$SMILES: CC1=CC=C(O1)C(O)=O
CH$IUPAC: InChI=1S/C6H6O3/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H,7,8)
CH$LINK: CAS 1917-15-3
CH$LINK: INCHIKEY OVOCLWJUABOAPL-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:74710

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 125.0244176066
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001i-9000000000-7c860f600e325ccfe8d9
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  39.024024 4.619271 46
  41.003288 7.399131 73
  81.034588 99.999996 999
  125.024418 1.770975 17
//