ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002062
RECORD_TITLE: 1-ACETOXY-4-METHYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ENDO K, PHARMACEUTICAL INST., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1-ACETOXY-4-METHYLBENZENE
CH$NAME: PARACRESYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₂
CH$EXACT_MASS: 150.06808
CH$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: INCHIKEY CDJJKTLOZJAGIZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0046567

AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-5900000000-7e9142ca5636b3537762
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  14 0.8 8
  15 2 20
  18 1.8 18
  27 0.32 3
  28 2.4 24
  29 0.6 6
  39 3.8 38
  40 0.12 1
  41 1 10
  42 2 20
  43 19.8 198
  50 0.08 1
  51 4.9 49
  52 3.4 34
  53 4.7 47
  54 0.06 1
  55 1.2 12
  62 0.6 6
  63 1.4 14
  64 0.06 1
  65 3 30
  75 1 10
  77 14 140
  78 0.49 5
  79 10.1 101
  80 5.1 51
  81 0.8 8
  89 0.12 1
  90 4.2 42
  91 5.7 57
  92 1.6 16
  106 0.26 3
  107 40.3 403
  108 99.99 999
  109 10.1 101
  110 0.08 1
  150 9.3 93
  151 1.4 14
//