ACCESSION: MSBNK-EPA-ENTACT_AGILENT000517
RECORD_TITLE: 2,4-Dihydroxybenzaldehyde; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-00kf-9000000000-14971158c96180cb52a3
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  37.008374 2.659089 26
  39.024024 5.403463 53
  41.003288 100 999
  41.039674 1.302415 13
  43.018938 1.392003 13
  49.008374 8.97826 89
  51.024024 1.54751 15
  53.003288 1.724533 17
  63.024024 9.944033 99
  65.003288 76.26527 761
  65.039674 4.505486 45
  67.018938 8.534938 85
  75.024024 1.551172 15
  91.018938 17.717919 177
  92.998203 1.437544 14
//