ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005130
RECORD_TITLE: 1-(2-HYDROXY-3-METHOXYPHENYL)-12-PHENYLDODECANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, FAC. OF SCIENCE AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 1-(2-HYDROXY-3-METHOXYPHENYL)-12-PHENYLDODECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C25H36O2
CH$EXACT_MASS: 368.27153
CH$SMILES: C(CCCCCCc(c2)c(O)c(OC)cc2)CCCCCc(c1)cccc1
CH$IUPAC: InChI=1S/C25H36O2/c1-27-24-21-15-20-23(25(24)26)19-14-9-7-5-3-2-4-6-8-11-16-22-17-12-10-13-18-22/h10,12-13,15,17-18,20-21,26H,2-9,11,14,16,19H2,1H3
CH$LINK: INCHIKEY FVKLYKTYJMVZBN-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-HX-100
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: splash10-014r-3906000000-88d7589cae22d4cefc61
PK$NUM_PEAK: 86
PK$PEAK: m/z int. rel.int.
  39 1.12 11
  41 4.54 45
  42 0.69 7
  43 2.63 26
  51 0.77 8
  53 0.83 8
  54 0.44 4
  55 3.61 36
  56 0.92 9
  57 1.64 16
  60 0.41 4
  65 2.43 24
  66 1.22 12
  67 1.16 12
  68 0.56 6
  69 2.58 26
  70 0.58 6
  71 0.78 8
  75 0.16 2
  77 3.02 30
  78 2.25 23
  79 2.94 29
  80 0.71 7
  81 2.05 21
  82 0.75 8
  83 0.83 8
  85 0.67 7
  89 0.53 5
  90 0.48 5
  91 27.6 276
  92 4.24 42
  93 1.18 12
  94 2.34 23
  95 1.16 12
  96 0.52 5
  97 0.7 7
  99 0.39 4
  103 1.76 18
  104 2 20
  105 3.31 33
  106 7.61 76
  107 3.83 38
  108 0.97 10
  109 2.53 25
  110 0.6 6
  111 0.65 7
  115 0.87 9
  117 1.44 14
  118 0.57 6
  119 1.51 15
  120 1.04 10
  121 1.31 13
  122 5.13 51
  123 5.76 58
  124 4.34 43
  125 1.86 19
  126 0.52 5
  129 0.52 5
  131 1.67 17
  132 0.55 6
  133 1.08 11
  134 0.39 4
  135 1.31 13
  136 1.7 17
  137 77.4 774
  138 46.47 465
  139 4.63 46
  140 0.8 8
  145 0.13 1
  149 0.59 6
  150 3.42 34
  151 2.22 22
  152 0.16 2
  161 0.38 4
  163 0.72 7
  164 0.89 9
  165 0.52 5
  177 0.5 5
  179 0.59 6
  213 0.4 4
  276 0.56 6
  354 0.9 9
  367 0.41 4
  368 99.99 999
  369 27.6 276
  370 3.99 40
//
