ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010883
RECORD_TITLE: ETHYL 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$NAME: ETHYL RICINOLEATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₈O₃
CH$EXACT_MASS: 326.28210
CH$SMILES: CCCCCCC(O)CC=CCCCCCCCC(=O)OCC
CH$IUPAC: InChI=1S/C20H38O3/c1-3-5-6-13-16-19(21)17-14-11-9-7-8-10-12-15-18-20(22)23-4-2/h11,14,19,21H,3-10,12-13,15-18H2,1-2H3/b14-11-/t19-/m1/s1
CH$LINK: INCHIKEY AZXVZUBIFYQWJK-KWRJMZDGSA-N
CH$LINK: COMPTOX DTXSID80886127

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$SPLASH: splash10-0aov-9200000000-7ce562b708e994be2a83
PK$NUM_PEAK: 88
PK$PEAK: m/z int. rel.int.
  27 9.7 97
  29 29.1 291
  31 3.1 31
  39 5.4 54
  41 38.4 384
  42 5.4 54
  43 35.6 356
  44 3 30
  45 5.3 53
  53 4.1 41
  54 17.3 173
  55 99.99 999
  56 7.6 76
  57 12 120
  58 1.1 11
  59 1.6 16
  60 5.3 53
  61 4.1 41
  65 1.2 12
  66 1.2 12
  67 21.7 217
  68 13.7 137
  69 34.9 349
  70 7.8 78
  71 5.2 52
  73 6.8 68
  77 1.3 13
  79 4.9 49
  80 3 30
  81 19.9 199
  82 19.3 193
  83 21.4 214
  84 32.4 324
  85 4.6 46
  87 2 20
  88 35 350
  89 2.9 29
  91 1.4 14
  93 3 30
  94 3.7 37
  95 11.7 117
  96 29.5 295
  97 31.9 319
  98 24.6 246
  99 2.3 23
  101 20.5 205
  102 1.9 19
  107 1.6 16
  108 1.7 17
  109 5.1 51
  110 6.5 65
  111 5.7 57
  112 1.6 16
  113 2.3 23
  114 1 10
  115 5.9 59
  116 1.1 11
  119 2.4 24
  121 1.9 19
  122 4.9 49
  123 11.7 117
  124 27.8 278
  125 6 60
  127 1.5 15
  128 2.1 21
  129 2.5 25
  130 1 10
  133 1.2 12
  139 1 10
  141 1.5 15
  142 2 20
  143 1.4 14
  147 1.5 15
  148 3.8 38
  149 1.3 13
  150 1.1 11
  151 1.7 17
  155 2.8 28
  157 1.1 11
  165 1.5 15
  166 30.2 302
  167 3.7 37
  169 1.5 15
  183 1.1 11
  195 2.2 22
  212 6.9 69
  213 1.3 13
  263 1.1 11
//