ACCESSION: MSBNK-EPA-ENTACT_AGILENT000518
RECORD_TITLE: 2,4-Dihydroxybenzaldehyde; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2,4-Dihydroxybenzaldehyde
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₆O₃
CH$EXACT_MASS: 138.0316940583
CH$SMILES: OC1=CC(O)=C(C=O)C=C1
CH$IUPAC: InChI=1S/C7H6O3/c8-4-5-1-2-6(9)3-7(5)10/h1-4,9-10H
CH$LINK: CAS 95-01-2
CH$LINK: INCHIKEY IUNJCFABHJZSKB-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7213

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$FOCUSED_ION: PRECURSOR_M/Z 137.0244176066
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-2900000000-b04f70641adecbb3abb5
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  41.003288 1.819557 18
  65.039674 3.164169 31
  67.018938 1.865895 18
  91.018938 19.249685 192
  93.034588 11.844455 118
  109.029503 10.624529 106
  135.008768 42.961675 429
  137.024418 99.999998 999
//