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MassBank Record: JP006900

O-CRESYL ACETATE; EI-B; MS

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

ACCESSION: JP006900
RECORD_TITLE: O-CRESYL ACETATE; 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$NAME: O-CRESYL ACETATE
CH$NAME: 1-ACETOXY-2-METHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O2
CH$EXACT_MASS: 150.06808
CH$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: INCHIKEY AMZORBZSQRUXNC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7060201

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a4i-9700000000-b6838ccde642e4daeb0b
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  14 1.36 14
  15 9.52 95
  18 2.21 22
  26 1.18 12
  27 6.89 69
  28 1.67 17
  38 1.98 20
  39 11.04 110
  41 1.03 10
  42 2.14 21
  43 42.21 422
  50 5.59 56
  51 11.77 118
  52 7.45 75
  53 6.52 65
  62 1.28 13
  63 3.82 38
  64 1.27 13
  65 3.08 31
  77 22.75 228
  78 8.75 88
  79 13.69 137
  80 9.67 97
  89 2.2 22
  90 10.82 108
  91 3.75 38
  107 33.36 334
  108 99.99 999
  109 7.72 77
  150 11.46 115
//

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