ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010039
RECORD_TITLE: 2,3-DIMETHOXY-5-(DECYL-10-AL)-6-METHYL-1,4-BENZOQINONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 2,3-DIMETHOXY-5-(DECYL-10-AL)-6-METHYL-1,4-BENZOQINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H28O5
CH$EXACT_MASS: 336.19367
CH$SMILES: O=CCCCCCCCCCc(c(C)1)c(=O)c(OC)c(OC)c(=O)1
CH$IUPAC: InChI=1S/C19H28O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h13H,4-12H2,1-3H3
CH$LINK: INCHIKEY NWTCBWDIPOKYAO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50542788
AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0079-1639000000-0e4408915fbfd64cca72
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  32 7.86 79
  41 7.61 76
  55 3.62 36
  67 4.48 45
  77 5.41 54
  79 5.53 55
  91 5.99 60
  105 3.41 34
  107 3.46 35
  135 3.46 35
  147 3.03 30
  153 5.09 51
  160 9.04 90
  161 4.7 47
  163 6.11 61
  167 5.89 59
  169 3.65 37
  176 3.58 36
  177 9.24 92
  179 3.25 33
  181 5.17 52
  182 3.65 37
  183 9.2 92
  184 3.68 37
  189 3.69 37
  191 14.46 145
  192 4.46 45
  193 7.56 76
  195 3.54 35
  196 9.34 93
  197 33.12 331
  198 6.52 65
  205 10.7 107
  206 3.66 37
  207 14.04 140
  208 2.66 27
  210 1.57 16
  219 10.56 106
  221 37.87 379
  222 7.32 73
  223 3.02 30
  233 3.43 34
  247 2.66 27
  321 38.67 387
  322 10.45 105
  334 4.32 43
  335 5.91 59
  336 99.99 999
  337 21.66 217
  338 24.03 240
  339 4.76 48
  340 17.18 172
  341 4.61 46
  350 7.8 78
  352 2.03 20
  354 1.7 17
//
