ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002192
RECORD_TITLE: 15-TETRACOSENOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: 15-TETRACOSENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C25H48O2
CH$EXACT_MASS: 380.36543
CH$SMILES: CCCCCCCCC=CCCCCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C25H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h10-11H,3-9,12-24H2,1-2H3/b11-10+
CH$LINK: INCHIKEY AINIZSBLAFHZCP-ZHACJKMWSA-N
AC$INSTRUMENT: JEOL JMS-01-SG
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: splash10-0532-9301000000-f65d82ee77545b1c0e17
PK$NUM_PEAK: 114
PK$PEAK: m/z int. rel.int.
  53 2 20
  54 13.1 131
  55 99.99 999
  56 2.52 25
  57 36.3 363
  67 26.2 262
  68 17.1 171
  69 6.26 63
  70 15.6 156
  71 17.6 176
  74 6.5 65
  75 0.6 6
  79 4.5 45
  80 5.5 55
  81 31.3 313
  82 2.07 21
  83 55 550
  84 26.2 262
  85 8.5 85
  87 2.62 26
  88 4.5 45
  93 3.5 35
  94 7 70
  95 2.37 24
  96 33.8 338
  97 51.5 515
  98 27.7 277
  99 0.6 6
  100 2.5 25
  101 6 60
  107 3 30
  108 0.45 5
  109 13.1 131
  110 15.6 156
  111 24.7 247
  112 0.75 8
  113 2.5 25
  114 3.5 35
  115 4 40
  118 0.25 3
  119 3.5 35
  121 9.5 95
  122 2.5 25
  123 1.46 15
  124 10.1 101
  125 16.1 161
  126 3 30
  127 0.4 4
  128 4 40
  129 3.5 35
  133 2 20
  134 0.35 4
  135 6.5 65
  136 2.5 25
  137 8 80
  138 1.01 10
  139 6.5 65
  141 3.5 35
  143 6 60
  144 0.25 3
  146 2 20
  148 2 20
  149 4 40
  150 0.2 2
  151 5.5 55
  152 9.5 95
  153 5 50
  155 0.3 3
  163 2.5 25
  165 3.5 35
  166 4.5 45
  167 0.3 3
  176 2.5 25
  179 2.5 25
  180 2.5 25
  181 0.25 3
  193 2.5 25
  194 2 20
  195 2.5 25
  207 0.4 4
  221 2 20
  222 5.5 55
  225 2 20
  235 0.2 2
  236 4.5 45
  237 3 30
  241 2.5 25
  248 0.2 2
  250 5.5 55
  251 2.5 25
  253 2 20
  257 0.2 2
  263 3.5 35
  264 8 80
  265 2.5 25
  277 0.45 5
  278 4 40
  279 2 20
  291 4 40
  292 0.3 3
  304 2 20
  305 4 40
  306 6 60
  307 0.25 3
  319 2.5 25
  320 2.5 25
  329 2.5 25
  330 0.25 3
  331 2.5 25
  348 26.2 262
  349 15.6 156
  350 0.25 3
  373 2.5 25
  380 3.5 35
//
