ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011188
RECORD_TITLE: 1-METHYL-1-PHENYLETHANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SAWADA M, THE INST. OF SCIENTIFIC AND INDUSTRIALRESEARCH OSAKA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1-METHYL-1-PHENYLETHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂O
CH$EXACT_MASS: 136.08882
CH$SMILES: CC(C)(O)c(c1)cccc1
CH$IUPAC: InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
CH$LINK: INCHIKEY BDCFWIDZNLCTMF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3027247

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-00dl-9500000000-d2c8039d1de2234ffb7d
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  34 1.2 12
  38 1.7 17
  39 10.9 109
  40 17.8 178
  41 7.8 78
  42 4.5 45
  43 74.3 743
  44 17.2 172
  45 2.4 24
  50 6.2 62
  51 18.6 186
  52 4.2 42
  53 1.7 17
  55 3.1 31
  56 1 10
  57 3 30
  58 1.6 16
  59 8.7 87
  60 2.8 28
  61 12.8 128
  62 2 20
  63 3.7 37
  64 1 10
  65 5.1 51
  66 1.2 12
  67 1.2 12
  69 1.8 18
  70 1 10
  74 2.6 26
  75 2.6 26
  76 2.1 21
  77 26.9 269
  78 18 180
  79 3.8 38
  83 1.2 12
  85 1.2 12
  89 1.6 16
  91 12.8 128
  92 2.6 26
  93 4.4 44
  94 1.2 12
  95 1.2 12
  97 1 10
  102 3 30
  103 5.1 51
  104 1.2 12
  105 10 100
  106 1.8 18
  115 3.1 31
  117 4.2 42
  118 7.9 79
  119 3.3 33
  120 1.9 19
  121 99.99 999
  122 17.6 176
  123 1.4 14
  136 34.5 345
  137 3.8 38
//