ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010882
RECORD_TITLE: METHYL RICINOLEATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL RICINOLEATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₆O₃
CH$EXACT_MASS: 312.26645
CH$SMILES: CCCCCCC(O)CC=CCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h10,13,18,20H,3-9,11-12,14-17H2,1-2H3/b13-10-/t18-/m1/s1
CH$LINK: INCHIKEY XKGDWZQXVZSXAO-ADYSOMBNSA-N
CH$LINK: COMPTOX DTXSID2029169

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0aov-9200000000-8e63ce35708c1571309d
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
  15 3.1 31
  27 8.1 81
  29 15.4 154
  31 3.2 32
  39 7.4 74
  41 41.1 411
  42 6.7 67
  43 36.2 362
  44 4 40
  45 2.8 28
  53 4.1 41
  54 15.3 153
  55 99.99 999
  56 8.5 85
  57 11.4 114
  59 12.2 122
  65 1.1 11
  66 1.1 11
  67 20.8 208
  68 14.5 145
  69 32.5 325
  70 4.1 41
  71 5.2 52
  73 2.4 24
  74 40.6 406
  75 3 30
  77 1.4 14
  79 4.7 47
  80 2.7 27
  81 17.4 174
  82 20.6 206
  83 20.2 202
  84 34.6 346
  85 5.2 52
  87 23.7 237
  88 2.1 21
  91 1.4 14
  93 2.7 27
  94 3.3 33
  95 10.2 102
  96 30.9 309
  97 30.9 309
  98 29.3 293
  99 2.5 25
  101 3.7 37
  107 1.6 16
  108 1.8 18
  109 4.5 45
  110 9.3 93
  111 6.3 63
  112 1.6 16
  113 2.9 29
  114 2.9 29
  115 7.6 76
  116 1.3 13
  119 2.3 23
  121 1.1 11
  122 6.8 68
  123 11.5 115
  124 28.3 283
  125 7.5 75
  127 1.3 13
  128 2.9 29
  129 1.3 13
  137 7.7 77
  138 3.4 34
  141 2.2 22
  148 4.1 41
  149 1.3 13
  151 1 10
  155 1.5 15
  166 33.3 333
  167 3.8 38
  195 2.2 22
  198 8.1 81
  199 1.2 12
//