ACCESSION: MSBNK-EPA-ENTACT_AGILENT000851
RECORD_TITLE: Methyl 2-methylbenzoate; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-004i-9000000000-d2df78231d68f5ffef1e
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  43.017841 1.017401 10
  45.033491 2.397331 23
  61.007276 9.462616 94
  62.015101 2.349877 23
  63.994366 19.133007 191
  67.054227 1.12736 11
  77.038577 1.661025 16
  79.017841 99.999995 999
//