ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005364
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-07bf-9300000000-5370036622a9596ac699
PK$NUM_PEAK: 87
PK$PEAK: m/z int. rel.int.
  41 86.08 861
  42 18.71 187
  43 84.2 842
  45 4.38 44
  53 6.77 68
  54 13.01 130
  55 83.74 837
  56 25.46 255
  57 57.79 578
  58 5.85 59
  59 25.5 255
  65 1.34 13
  66 1.71 17
  67 49.31 493
  68 29.72 297
  69 74.04 740
  70 28.78 288
  71 23.71 237
  72 2.29 23
  73 6.94 69
  74 19.87 199
  75 1.01 10
  77 1.89 19
  79 5.01 50
  80 2.84 28
  81 17.48 175
  82 19.41 194
  83 34.99 350
  84 21.01 210
  85 30.7 307
  86 2.04 20
  87 31.31 313
  88 2.59 26
  93 3.57 36
  94 2.58 26
  95 20.28 203
  96 11.29 113
  97 40.27 403
  98 15.13 151
  99 4.03 40
  100 2.25 23
  101 3.43 34
  102 1.14 11
  107 3.17 32
  109 7.95 80
  110 3.17 32
  111 13.26 133
  112 23.9 239
  113 99.99 999
  114 7.65 77
  115 10.9 109
  116 4.72 47
  121 2.02 20
  123 3.89 39
  124 2 20
  125 5.78 58
  126 6.83 68
  127 3.93 39
  128 6.23 62
  129 30.05 301
  130 3.81 38
  135 1.22 12
  137 2.42 24
  138 2.29 23
  139 3.36 34
  140 5.12 51
  141 1.09 11
  143 3.3 33
  144 6.93 69
  145 19.27 193
  146 1.84 18
  147 1.52 15
  153 1.61 16
  154 1.97 20
  155 1.19 12
  157 2.85 29
  158 5.27 53
  165 1.1 11
  166 1.88 19
  171 1.31 13
  172 3.67 37
  183 2.35 24
  197 14.35 144
  198 3.86 39
  225 1.86 19
  238 2.66 27
  239 1.03 10
//