ACCESSION: MSBNK-EPA-ENTACT_AGILENT001662
RECORD_TITLE: (2,2-Dimethoxyethyl)benzene; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: (2,2-Dimethoxyethyl)benzene
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O₂
CH$EXACT_MASS: 166.0993796912
CH$SMILES: COC(CC1C=CC=CC=1)OC
CH$IUPAC: InChI=1S/C10H14O2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
CH$LINK: CAS 101-48-4
CH$LINK: INCHIKEY WNJSKZBEWNVKGU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:60995

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$FOCUSED_ION: PRECURSOR_M/Z 167.1066561429
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-9000000000-30b434ac2c2332a2265b
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  57.069877 4.172322 41
  61.007276 5.019484 50
  62.015101 1.118404 11
  63.994366 18.571243 185
  79.017841 100.000002 999
  79.054227 2.262213 22
  107.049141 1.802352 18
//