ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002532
RECORD_TITLE: PARA-CRESOL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: PARA-CRESOL ACETATE
CH$NAME: PARA-TOLYL 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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a4i-4900000000-84f9b68467e23b1b2be6
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  15 4.49 45
  27 4.43 44
  28 2.6 26
  38 1.07 11
  39 4.66 47
  43 19.25 193
  50 2.72 27
  51 5.49 55
  52 3.62 36
  53 3.3 33
  63 2.11 21
  65 1.83 18
  77 9.77 98
  78 3.32 33
  79 6.27 63
  80 3.86 39
  90 4.46 45
  91 2.64 26
  106 1.13 11
  107 38.37 384
  108 99.99 999
  109 8.1 81
  150 11.39 114
  151 1.27 13
//