ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007245
RECORD_TITLE: 5-HYDROXY-1-(4-HYDROXY-3-METHOXYPHENYL)TETRADECAN-3-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ENDO K, PHARMACEUTICAL INST., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 5-HYDROXY-1-(4-HYDROXY-3-METHOXYPHENYL)TETRADECAN-3-ONE
CH$NAME: 10-GINGEROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₃₄O₄
CH$EXACT_MASS: 350.24571
CH$SMILES: CCCCCCCCCC([H])(O)CC(=O)CCc(c1)cc(OC)c(O)c1
CH$IUPAC: InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1
CH$LINK: CAS 23513-15-7
CH$LINK: INCHIKEY AIULWNKTYPZYAN-SFHVURJKSA-N
CH$LINK: COMPTOX DTXSID80178079

AC$INSTRUMENT: HITACHI M-52
AC$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$SPLASH: splash10-052o-9600000000-64ce23ed825b38f4851c
PK$NUM_PEAK: 118
PK$PEAK: m/z int. rel.int.
  39 10.4 104
  40 2.7 27
  41 50 500
  42 1.04 10
  43 65.4 654
  44 10.8 108
  45 3.8 38
  50 0.12 1
  51 3.8 38
  52 2.7 27
  53 6.5 65
  54 0.85 9
  55 40.4 404
  56 13.8 138
  57 26.2 262
  58 0.31 3
  59 3.8 38
  60 4.6 46
  61 1.9 19
  63 0.15 2
  64 1.2 12
  65 3.8 38
  66 3.5 35
  67 1.27 13
  68 7.3 73
  69 24.2 242
  70 9.6 96
  71 1.62 16
  72 2.7 27
  73 6.9 69
  77 6.2 62
  78 0.35 4
  79 6.2 62
  80 1.9 19
  81 9.2 92
  82 0.88 9
  83 17.7 177
  84 10.4 104
  85 4.6 46
  87 0.23 2
  91 15 150
  93 5.8 58
  94 7.7 77
  95 0.73 7
  96 5 50
  97 8.1 81
  98 4.2 42
  99 0.19 2
  101 1.9 19
  103 2.3 23
  105 5 50
  106 0.35 4
  107 6.5 65
  108 1.5 15
  109 6.5 65
  110 0.38 4
  111 3.1 31
  112 4.6 46
  113 2.7 27
  115 0.15 2
  117 1.9 19
  119 11.5 115
  120 2.3 23
  121 0.35 4
  122 8.1 81
  123 3.8 38
  124 9.6 96
  125 0.38 4
  126 2.3 23
  127 1.9 19
  129 3.8 38
  131 1.12 11
  132 3.1 31
  133 4.2 42
  134 2.3 23
  135 0.46 5
  136 3.1 31
  137 99.99 999
  138 27.7 277
  139 0.31 3
  145 1.9 19
  146 1.5 15
  147 2.3 23
  149 0.81 8
  150 13.5 135
  151 11.5 115
  152 3.1 31
  157 0.19 2
  159 1.5 15
  161 3.1 31
  163 8.1 81
  164 0.12 1
  165 1.9 19
  167 1.9 19
  176 2.3 23
  178 0.27 3
  180 3.8 38
  181 2.7 27
  189 1.9 19
  194 1.77 18
  195 2.7 27
  196 1.5 15
  205 5.8 58
  262 0.31 3
  264 1.2 12
  276 1.5 15
  278 1.9 19
  279 0.19 2
  280 5 50
  281 1.5 15
  304 1.2 12
  322 0.12 1
  331 1.2 12
  332 1.5 15
  333 7.7 77
  338 0.12 1
  350 2.7 27
  351 1.2 12
//