ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006254
RECORD_TITLE: 4-METHYLBENZYL ALCOHOL; 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$NAME: 4-METHYLBENZYL ALCOHOL
CH$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$LINK: CAS 589-18-4
CH$LINK: INCHIKEY KMTDMTZBNYGUNX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5025574

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0adl-9700000000-b8f40122b485bec634a9
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  15 0.77 8
  28 1.58 16
  29 3.47 35
  31 3.22 32
  38 1.69 17
  39 14.88 149
  40 1.62 16
  41 4.45 45
  50 4.14 41
  51 11.17 112
  52 3.2 32
  53 4.37 44
  60 2.72 27
  61 0.88 9
  62 2.76 28
  63 8.9 89
  64 2.2 22
  65 18.83 188
  66 2 20
  67 0.56 6
  74 1.29 13
  75 1.31 13
  76 1.17 12
  77 45.16 452
  78 11.69 117
  79 57.07 571
  80 3.97 40
  89 5.55 56
  90 2.26 23
  91 50.83 508
  92 5.93 59
  93 43.94 439
  94 3.93 39
  102 1.4 14
  103 7.19 72
  104 13.69 137
  105 22.81 228
  106 5.89 59
  107 99.99 999
  108 7.69 77
  109 0.46 5
  119 4.61 46
  120 1.88 19
  121 17.04 170
  122 93.71 937
  123 8.24 82
  124 0.49 5
//