ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005342
RECORD_TITLE: CIS-12-OCTADECENOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: CIS-12-OCTADECENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₆O₂
CH$EXACT_MASS: 296.27153
CH$SMILES: CCCCCC=CCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8H,3-6,9-18H2,1-2H3/b8-7-
CH$LINK: INCHIKEY LMWAESDDOGRMOK-FPLPWBNLSA-N
CH$LINK: COMPTOX DTXSID70514104

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000t-9210000000-47f97c753d12c10f4a80
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  40 19.31 193
  41 17.78 178
  42 6.83 68
  43 35.52 355
  44 6.44 64
  45 16.81 168
  54 3.52 35
  55 95.07 951
  56 39.8 398
  57 45.29 453
  58 1.91 19
  59 8.55 86
  60 8.3 83
  67 4.9 49
  68 20.66 207
  69 99.99 999
  70 25.36 254
  71 8.62 86
  73 10.58 106
  74 99.81 998
  75 8.36 84
  81 29.17 292
  82 28.74 287
  83 81.99 820
  84 82.16 822
  85 9.9 99
  87 79.35 794
  89 5.63 56
  93 5.73 57
  95 45.35 454
  96 62.85 629
  97 72.81 728
  98 69.31 693
  99 2.98 30
  101 7.89 79
  109 27.96 280
  110 38.38 384
  111 25.65 257
  113 1.79 18
  115 7.87 79
  119 4.15 42
  123 10.18 102
  124 11.12 111
  125 10.96 110
  129 10.5 105
  133 4.27 43
  135 6.25 63
  137 4.13 41
  138 12.41 124
  139 11.68 117
  141 9.14 91
  150 3.88 39
  152 17.52 175
  153 11.21 112
  161 9.55 96
  166 5.47 55
  167 3.95 40
  180 19.04 190
  181 6.21 62
  183 5.26 53
  220 7.29 73
  221 2.93 29
  222 22.89 229
  223 6.14 61
  264 49.78 498
  265 36.95 370
  296 7.38 74
  297 1.33 13
//