ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005363
RECORD_TITLE: 6,7-EPOXYOCTADECANOIC 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$NAME: 6,7-EPOXYOCTADECANOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₆O₃
CH$EXACT_MASS: 312.26645
CH$SMILES: CCCCCCCCCCCC(O1)C(CCCCC(=O)OC)1
CH$IUPAC: InChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-14-17-18(22-17)15-12-13-16-19(20)21-2/h17-18H,3-16H2,1-2H3
CH$LINK: INCHIKEY XZBRNQGAEDOQPT-UHFFFAOYSA-N

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$SPLASH: splash10-03di-9700000000-0ccd62beb39ffa4e8d45
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
  41 3.98 40
  42 2.03 20
  43 12.92 129
  54 2.15 22
  55 15.36 154
  56 10.95 110
  57 21.4 214
  58 2.18 22
  59 5.15 52
  67 15.35 154
  68 20.13 201
  69 31.52 315
  70 21.05 211
  71 14.01 140
  72 1.86 19
  73 1.41 14
  74 9.95 100
  79 1.12 11
  80 1.76 18
  81 7.58 76
  82 13.03 130
  83 24.41 244
  84 14.81 148
  85 15.37 154
  86 1.32 13
  87 18.26 183
  88 1.34 13
  93 1.55 16
  94 1.53 15
  95 11.49 115
  96 9.01 90
  97 32.32 323
  98 9.36 94
  99 2.97 30
  100 1.4 14
  101 2.37 24
  109 5.25 53
  110 2.73 27
  111 11.17 112
  112 23.32 233
  113 99.99 999
  114 8.82 88
  115 6.14 61
  116 5.44 54
  123 3.91 39
  124 2.13 21
  125 3.34 33
  126 3.46 35
  127 3.66 37
  128 6.65 67
  129 32.24 322
  130 3.31 33
  137 1.93 19
  138 1.71 17
  139 2.85 29
  140 2.76 28
  143 3.49 35
  144 8.23 82
  145 20.83 208
  146 1.95 20
  147 1.48 15
  151 1.09 11
  153 1.1 11
  157 2.48 25
  158 2.43 24
  166 2.43 24
  167 1.02 10
  171 1.28 13
  172 1.56 16
  179 1.06 11
  183 1.34 13
  195 1.22 12
  197 15.98 160
  198 2.78 28
  225 1.85 19
  238 6.1 61
  239 1.38 14
  312 1.11 11
//