ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003321
RECORD_TITLE: METHYL 9-OCTADECENOATE; 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$NAME: METHYL 9-OCTADECENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₆O₂
CH$EXACT_MASS: 296.27153
CH$SMILES: CCCCCCCCC=CCCCCCCCC(=O)OC
CH$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/h10-11H,3-9,12-18H2,1-2H3/b11-10+
CH$LINK: INCHIKEY QYDYPVFESGNLHU-ZHACJKMWSA-N
CH$LINK: COMPTOX DTXSID40883778

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0fl9-9100000000-d219c988b5e92fcbfa53
PK$NUM_PEAK: 82
PK$PEAK: m/z int. rel.int.
  43 49.5 495
  45 2.9 29
  53 17.3 173
  54 94.3 943
  55 16.9 169
  56 26.2 262
  58 11.5 115
  65 0.23 2
  66 2.2 22
  67 31.4 314
  68 17.9 179
  69 4.78 48
  70 11.6 116
  71 8.7 87
  73 4.4 44
  74 99.99 999
  75 14.1 141
  77 2.6 26
  79 8.8 88
  80 0.56 6
  81 26.6 266
  82 17.8 178
  83 33.5 335
  84 2.4 24
  85 6.3 63
  87 50.9 509
  88 4.9 49
  91 0.51 5
  92 2.2 22
  93 4.9 49
  94 5.3 53
  95 1.88 19
  96 22 220
  97 24.7 247
  98 22 220
  99 0.3 3
  101 7.1 71
  105 2.3 23
  107 3.6 36
  108 0.32 3
  109 9.9 99
  110 11.6 116
  111 12.2 122
  114 0.25 3
  115 5.3 53
  119 2.3 23
  120 4 40
  123 0.82 8
  124 6.3 63
  125 6.4 64
  128 2.8 28
  129 0.63 6
  133 2.3 23
  135 4.2 42
  137 5.3 53
  138 0.47 5
  139 4.2 42
  141 3.7 37
  143 9.8 98
  151 0.39 4
  152 5 50
  153 2.5 25
  157 2.2 22
  165 0.22 2
  166 3.9 39
  171 2.5 25
  180 5.7 57
  185 0.25 3
  194 2.8 28
  199 3.3 33
  220 2.2 22
  221 0.21 2
  222 7.1 71
  227 2.5 25
  236 3.3 33
  242 0.28 3
  264 20.5 205
  265 9.5 95
  270 5.1 51
  294 0.36 4
  296 5.6 56
  297 2.8 28
//