ACCESSION: MSBNK-EPA-ENTACT_AGILENT000519
RECORD_TITLE: 2,4-Dihydroxybenzaldehyde; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0006-9300000000-f7e6302d864c94263747
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  39.024024 1.721381 17
  41.003288 21.558949 215
  49.008374 3.340872 33
  63.024024 1.861309 18
  65.003288 13.32221 133
  65.039674 12.941043 129
  67.018938 9.245653 92
  91.018938 99.999996 999
  93.034588 21.190155 211
  95.013853 2.872332 28
  107.013853 1.433175 14
  109.029503 9.294361 92
  135.008768 38.24848 382
  137.024418 14.089587 140
//