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MassBank Record: MSBNK-EPA-ENTACT_AGILENT002362

Benzylacetone; ESI-QTOF; MS2; CE: 20; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-EPA-ENTACT_AGILENT002362
RECORD_TITLE: Benzylacetone; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Benzylacetone
CH$NAME: DTXSID6033241
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O
CH$EXACT_MASS: 148.0888150051
CH$SMILES: CC(=O)CCC1C=CC=CC=1
CH$IUPAC: InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
CH$LINK: CAS 2550-26-7
CH$LINK: INCHIKEY AKGGYBADQZYZPD-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:17355

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$FOCUSED_ION: PRECURSOR_M/Z 149.0960914568
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-9000000000-52319ebb1c4df3fbd5ff
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  61.007276 6.959992 69
  62.015101 1.493197 14
  63.994366 16.843147 168
  79.017841 99.999998 999
  79.054227 3.52879 35
  80.025666 2.830897 28
//

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