MassBank Record: JP008045

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ACETIC ACID PARA-TOLYL ESTER; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP008045
RECORD_TITLE: ACETIC ACID PARA-TOLYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ACETIC ACID PARA-TOLYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O2
CH$EXACT_MASS: 150.0680800000000090221874415874481201171875
CH$SMILES: CC(=O)Oc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3
CH$LINK: COMPTOX DTXSID0046567
CH$LINK: INCHIKEY CDJJKTLOZJAGIZ-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-1900000000-20ee4619821736a9315b
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  43 7.75 78
  77 3.19 32
  78 0.8 8
  79 4.1 41
  80 3.42 34
  90 3.42 34
  91 1.71 17
  107 25.63 256
  108 99.99 999
  109 7.75 78
  150 13.1 131
  151 1.37 14
//