MassBank Record: JP001312

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

Mass Spectrum
Chemical Structure
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ACCESSION: JP001312
RECORD_TITLE: ACETIC ACID META-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$NAME: META-CRESOL ACETATE
CH$NAME: ACETIC ACID META-TOLYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O2
CH$EXACT_MASS: 150.0680800000000090221874415874481201171875
CH$SMILES: CC(=O)Oc(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C9H10O2/c1-7-4-3-5-9(6-7)11-8(2)10/h3-6H,1-2H3
CH$LINK: COMPTOX DTXSID7046041
CH$LINK: INCHIKEY OTGAHJPFNKQGAE-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$SPLASH: splash10-0a4i-5900000000-7301945c166e8a5a537b
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  15 3.6 36
  27 2.72 27
  38 1.24 12
  39 5.96 60
  42 1 10
  43 21.37 214
  50 2.07 21
  51 4.37 44
  52 2.42 24
  53 2.95 30
  63 2.13 21
  65 2.13 21
  77 9.45 95
  78 3.01 30
  79 9.45 95
  80 5.25 53
  90 5.9 59
  91 3.31 33
  106 1.12 11
  107 35.3 353
  108 99.99 999
  109 7.56 76
  150 11.45 115
  151 1.24 12
//