ACCESSION: MSBNK-EPA-ENTACT_AGILENT002173
RECORD_TITLE: Ethyl benzoate; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Ethyl benzoate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₂
CH$EXACT_MASS: 150.0680795636
CH$SMILES: CCOC(=O)C1C=CC=CC=1
CH$IUPAC: InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
CH$LINK: CAS 93-89-0
CH$LINK: INCHIKEY MTZQAGJQAFMTAQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7165

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$SPLASH: splash10-004i-9000000000-af6002e718a6c5e2ecdc
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  43.017841 1.586402 15
  45.033491 2.936687 29
  61.007276 11.381811 113
  62.015101 3.3508 33
  63.994366 30.600871 305
  79.017841 99.999998 999
  79.054227 2.629498 26
  105.069877 1.487468 14
//