ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006581
RECORD_TITLE: ANISYL ALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ANISYL ALCOHOL
CH$NAME: 4-METHOXYBENZYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀O₂
CH$EXACT_MASS: 138.06808
CH$SMILES: OCc(c1)ccc(OC)c1
CH$IUPAC: InChI=1S/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3
CH$LINK: INCHIKEY MSHFRERJPWKJFX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6044357

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$SPLASH: splash10-052r-7900000000-ce52521c68b1292fe73c
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  15 7.21 72
  26 1.17 12
  27 4.06 41
  29 7.21 72
  31 7.32 73
  37 1.15 12
  38 5 50
  39 18.61 186
  40 3.81 38
  41 11.46 115
  43 1.07 11
  50 9.46 95
  51 17.87 179
  52 6.4 64
  53 5.5 55
  55 2.99 30
  61 1.23 12
  62 3.11 31
  63 11.63 116
  64 7.85 79
  65 13.86 139
  66 11.12 111
  67 9.37 94
  68 1.43 14
  74 2.73 27
  75 1.91 19
  76 2.13 21
  77 47.03 470
  78 17.44 174
  79 17.05 171
  80 1.04 10
  81 1 10
  89 4.75 48
  90 1.19 12
  91 7.27 73
  92 7.63 76
  93 1.64 16
  94 27.1 271
  95 6.11 61
  105 13.1 131
  106 5.87 59
  107 26.29 263
  108 2.77 28
  109 67.46 675
  110 6.13 61
  121 49.59 496
  122 5.06 51
  123 5.45 55
  135 4.65 47
  136 1.16 12
  137 64.58 646
  138 99.99 999
  139 8.7 87
//