ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004586
RECORD_TITLE: 2-HYDROXY-5-METHOXY-3-(10-PENTADECENYL)-PARA-BENZOQUINONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2-HYDROXY-5-METHOXY-3-(10-PENTADECENYL)-PARA-BENZOQUINONE
CH$NAME: MAESANINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H34O4
CH$EXACT_MASS: 362.24571
CH$SMILES: CCCCC=CCCCCCCCCCc(c(O)1)c(=O)c(OC)cc(=O)1
CH$IUPAC: InChI=1S/C22H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)19(23)17-20(26-2)22(18)25/h6-7,17,24H,3-5,8-16H2,1-2H3/b7-6+
CH$LINK: INCHIKEY WVHQJXPRVZBEFP-VOTSOKGWSA-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$SPLASH: splash10-02t9-5904000000-df702e0f77911f8f93c0
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  39 5.83 58
  41 37.99 380
  42 4.86 49
  43 16.57 166
  53 5.64 56
  54 6.52 65
  55 53.29 533
  56 5.3 53
  57 6.17 62
  67 16.58 166
  69 20.6 206
  79 4.93 49
  81 13.1 131
  83 7.77 78
  95 10.21 102
  109 5.67 57
  125 5.84 58
  139 20.35 204
  140 4.11 41
  141 7.17 72
  149 5.5 55
  153 20.08 201
  154 5.38 54
  155 10.1 101
  156 9.72 97
  163 5.31 53
  167 27.93 279
  168 99.99 999
  169 84.34 843
  170 12.39 124
  179 4.01 40
  182 7.37 74
  193 8.53 85
  348 5.4 54
  362 95.43 954
  363 26.63 266
  364 22.27 223
  365 4.66 47
//
