ACCESSION: MSBNK-EPA-ENTACT_AGILENT000852
RECORD_TITLE: Methyl 2-methylbenzoate; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Methyl 2-methylbenzoate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₂
CH$EXACT_MASS: 150.0680795636
CH$SMILES: CC1C=CC=CC=1C(=O)OC
CH$IUPAC: InChI=1S/C9H10O2/c1-7-5-3-4-6-8(7)9(10)11-2/h3-6H,1-2H3
CH$LINK: CAS 89-71-4
CH$LINK: INCHIKEY WVWZECQNFWFVFW-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:33094

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 40

MS$FOCUSED_ION: PRECURSOR_M/Z 151.0753560153
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03di-9000000000-b8a19790592a061c18da
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  41.038577 2.189065 21
  45.033491 6.844617 68
  55.017841 2.880492 28
  61.007276 7.447277 74
  62.015101 5.140235 51
  63.994366 100 999
  73.064791 1.404485 14
  77.038577 2.249057 22
  79.017841 38.215224 381
  91.054227 1.879721 18
//