ACCESSION: MSBNK-EPA-ENTACT_AGILENT000461
RECORD_TITLE: 2,4,5-Trimethoxybenzaldehyde; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2,4,5-Trimethoxybenzaldehyde
CH$NAME: DTXSID1022217
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₄
CH$EXACT_MASS: 196.073558872
CH$SMILES: COC1=CC(C=O)=C(C=C1OC)OC
CH$IUPAC: InChI=1S/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H3
CH$LINK: CAS 4460-86-0
CH$LINK: INCHIKEY IAJBQAYHSQIQRE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:20525

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

MS$FOCUSED_ION: PRECURSOR_M/Z 197.0808353237
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00kb-0900000000-74e43dc992849c622ecc
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  123.044056 1.893267 18
  138.067531 23.926927 239
  139.038971 1.555588 15
  139.075356 3.193651 31
  154.062446 26.75729 267
  167.033885 1.259831 12
  167.070271 6.704661 66
  169.085921 60.045491 599
  182.05736 4.33353 43
  197.080835 100.000003 999
//