MassBank Record: JP001313

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

Mass Spectrum
Chemical Structure
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ACCESSION: JP001313
RECORD_TITLE: ACETIC ACID PARA-TOLYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PARA-CRESOL ACETATE
CH$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$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-4900000000-1e63cc956c8aa5d2b50e
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  15 3.36 34
  27 3.56 36
  39 3.71 37
  43 17.35 174
  50 2.22 22
  51 4.45 45
  52 2.74 27
  53 2.97 30
  63 1.48 15
  65 1.63 16
  77 8.9 89
  78 2.67 27
  79 6.23 62
  80 4.15 42
  90 5.04 50
  91 2.52 25
  107 41.51 415
  108 99.99 999
  109 7.56 76
  150 10.16 102
  151 1 10
//