ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002530
RECORD_TITLE: ORTHO-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$NAME: ORTHO-CRESOL ACETATE
CH$NAME: ORTHO-TOLYL ACETATE
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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a4i-6900000000-53c10d980e9c8b682bc0
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  15 5.03 50
  27 4.18 42
  28 2.92 29
  38 1.16 12
  39 6.35 64
  43 27.81 278
  50 2.67 27
  51 6.08 61
  52 3.88 39
  53 3.08 31
  63 2.08 21
  65 1.82 18
  77 11.07 111
  78 4.02 40
  79 7.88 79
  80 5.09 51
  89 1.62 16
  90 8.71 87
  91 3.52 35
  107 27.63 276
  108 99.99 999
  109 7.81 78
  150 14.62 146
  151 1.6 16
//