ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009151
RECORD_TITLE: P-METHYLBENZYL ALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: P-METHYLBENZYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀O
CH$EXACT_MASS: 122.07316
CH$SMILES: OCc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
CH$LINK: COMPTOX DTXSID5025574
CH$LINK: INCHIKEY KMTDMTZBNYGUNX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:11505

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-05dl-9600000000-717c741d4054d456793c
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  15 1.39 14
  26 1.36 14
  27 9.8 98
  29 7.46 75
  31 7.44 74
  38 3.53 35
  39 22.99 230
  40 1.8 18
  41 6.03 60
  50 8.01 80
  51 17.96 180
  52 5.19 52
  53 5.56 56
  55 1.06 11
  60 5.31 53
  61 1.14 11
  62 4.89 49
  63 13.49 135
  64 2.42 24
  65 24.46 245
  66 2.07 21
  74 1.93 19
  75 1.56 16
  76 1.19 12
  77 58 580
  78 13.26 133
  79 69.18 692
  80 4.84 48
  89 6.58 66
  90 1.88 19
  91 55.16 552
  92 6.24 62
  93 46.89 469
  94 4.02 40
  102 1.19 12
  103 7.15 72
  104 12.67 127
  105 19.74 197
  106 1.57 16
  107 99.99 999
  108 8.46 85
  119 4.42 44
  120 1.63 16
  121 18.18 182
  122 99.31 993
  123 8.98 90
//