ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004038
RECORD_TITLE: ORTHO-ISOPROPYLPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: ORTHO-ISOPROPYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂O
CH$EXACT_MASS: 136.08882
CH$SMILES: CC(C)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3
CH$LINK: INCHIKEY CRBJBYGJVIBWIY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2044391

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-00dr-9700000000-0a3ec6f0b6db49b1bb8c
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  37 0.5 5
  38 4.5 45
  39 28 280
  40 0.42 4
  41 14.3 143
  42 2.8 28
  43 6.9 69
  45 0.45 5
  45.5 4 40
  46 2.4 24
  50 5 50
  51 1.57 16
  52 3 30
  53 5.5 55
  55 3.6 36
  56 0.15 2
  57 4 40
  58 1.4 14
  59 3.5 35
  60 0.35 4
  60.5 29.8 298
  61 2 20
  62 2 20
  63 0.62 6
  64 1.6 16
  65 8.4 84
  66 3 30
  67 0.5 5
  69 2 20
  74 1.2 12
  75 1.5 15
  76 0.3 3
  77 27.8 278
  78 3.9 39
  79 2 20
  89 0.2 2
  90 1.3 13
  91 16.9 169
  93 3.8 38
  94 0.22 2
  95 1.8 18
  103 28.1 281
  107 4.6 46
  115 0.21 2
  121 99.99 999
  136 30.2 302
//