ACCESSION: MSBNK-EPA-ENTACT_AGILENT001030
RECORD_TITLE: 2-Tolualdehyde; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Tolualdehyde
CH$NAME: DTXSID1022051
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O
CH$EXACT_MASS: 120.0575148775
CH$SMILES: CC1C=CC=CC=1C=O
CH$IUPAC: InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3
CH$LINK: CAS 529-20-4
CH$LINK: INCHIKEY BTFQKIATRPGRBS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:10722

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 20

MS$FOCUSED_ION: PRECURSOR_M/Z 121.0647913292
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9000000000-bbfbb47007202705e0d5
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  41.038577 2.022019 20
  43.054227 3.865716 38
  45.033491 1.359858 13
  63.994366 2.267439 22
  65.038577 1.159942 11
  77.038577 3.512295 35
  80.025666 1.642415 16
  91.054227 1.220244 12
  94.041316 100 999
  104.025666 1.507824 15
//