ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007243
RECORD_TITLE: 5-HYDROXY-1-(4-HYDROXY-3-METHOXYPHENYL)DECAN-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$NAME: 6-Gingerol
CH$NAME: (5S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₆O₄
CH$EXACT_MASS: 294.18311
CH$SMILES: CCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O
CH$IUPAC: InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1
CH$LINK: CAS 23513-14-6
CH$LINK: COMPTOX DTXSID3041035
CH$LINK: INCHIKEY NLDDIKRKFXEWBK-AWEZNQCLSA-N
CH$LINK: NIKKAJI J46.683B
CH$LINK: PUBCHEM CID:442793

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 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000i-3910000000-3c07be71d662410144ab
PK$NUM_PEAK: 96
PK$PEAK: m/z int. rel.int.
  39 3.2 32
  40 1.1 11
  41 11.7 117
  43 1.38 14
  44 9.6 96
  45 2.1 21
  51 1.1 11
  52 0.11 1
  53 3.2 32
  55 8.5 85
  56 8.5 85
  57 0.74 7
  65 1.1 11
  66 2.1 21
  67 3.2 32
  69 0.21 2
  70 1.1 11
  71 4.3 43
  72 2.1 21
  76 0.11 1
  77 2.1 21
  79 3.2 32
  80 2.1 21
  81 0.11 1
  82 3.2 32
  83 3.2 32
  84 1.1 11
  85 0.11 1
  89 1.1 11
  91 8.5 85
  92 3.2 32
  94 0.21 2
  95 1.1 11
  97 1.1 11
  99 1.1 11
  101 0.11 1
  102 1.1 11
  103 1.1 11
  104 1.1 11
  105 0.21 2
  106 2.1 21
  107 5.3 53
  108 3.2 32
  109 0.43 4
  111 1.1 11
  115 1.1 11
  117 1.1 11
  118 0.11 1
  119 8.5 85
  121 1.1 11
  122 9.6 96
  123 0.21 2
  124 6.4 64
  125 1.1 11
  126 1.1 11
  133 0.11 1
  135 5.3 53
  136 6.4 64
  137 99.99 999
  138 1.38 14
  139 3.2 32
  140 2.1 21
  143 2.1 21
  145 0.21 2
  147 1.1 11
  148 1.1 11
  149 1.1 11
  150 3.72 37
  151 14.8 148
  152 3.2 32
  159 1.1 11
  160 0.11 1
  161 2.1 21
  163 4.3 43
  175 2.1 21
  176 0.11 1
  177 4.3 43
  178 3.2 32
  179 5.3 53
  180 0.11 1
  190 1.1 11
  191 2.1 21
  192 3.2 32
  193 0.11 1
  194 13.8 138
  195 4.3 43
  205 6.4 64
  206 0.21 2
  207 1.1 11
  211 1.1 11
  234 2.1 21
  276 0.64 6
  277 3.2 32
  293 1.1 11
  294 19.1 191
  295 5.3 53
//