MassBank Record: JP001310

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

Mass Spectrum
Chemical Structure
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ACCESSION: JP001310
RECORD_TITLE: ACETIC ACID ORTHO-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$NAME: ACETIC ACID ORTHO-TOLYL ESTER
CH$NAME: ORTHO-CRESOL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O2
CH$EXACT_MASS: 150.0680800000000090221874415874481201171875
CH$SMILES: CC(=O)Oc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C9H10O2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-6H,1-2H3
CH$LINK: COMPTOX DTXSID7060201
CH$LINK: INCHIKEY AMZORBZSQRUXNC-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$SPLASH: splash10-0a4i-5900000000-2f6069670cdd8c182d83
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  15 1.96 20
  27 2.25 23
  28 1.76 18
  39 4.71 47
  43 23.43 234
  50 2.16 22
  51 4.9 49
  52 2.84 28
  53 2.55 26
  63 1.67 17
  65 1.76 18
  77 10.59 106
  78 3.33 33
  79 8.92 89
  80 6.18 62
  89 1.76 18
  90 9.71 97
  91 3.04 30
  107 33.04 330
  108 99.99 999
  109 7.35 74
  150 10.78 108
  151 1 10
//