ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002184
RECORD_TITLE: TRANS-9-HEXADECENOIC 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$NAME: TRANS-9-HEXADECENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₂O₂
CH$EXACT_MASS: 268.24023
CH$SMILES: CCCCCCC=CCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8+
CH$LINK: INCHIKEY IZFGRAGOVZCUFB-CMDGGOBGSA-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$SPLASH: splash10-067j-9300000000-429d2c647fb476c71995
PK$NUM_PEAK: 108
PK$PEAK: m/z int. rel.int.
  43 2.5 25
  44 2.5 25
  53 7.6 76
  54 2.11 21
  55 99.99 999
  56 23 230
  57 21.1 211
  59 0.83 8
  62 1.9 19
  65 3.2 32
  67 40.3 403
  68 2.3 23
  69 69.8 698
  70 17.3 173
  71 8.3 83
  73 0.38 4
  74 49.3 493
  75 7.6 76
  77 5.1 51
  79 1.02 10
  80 5.7 57
  81 35.2 352
  82 27.5 275
  83 4.93 49
  84 42.9 429
  85 7 70
  87 39.1 391
  88 0.57 6
  89 3.2 32
  91 5.1 51
  93 5.1 51
  94 0.7 7
  95 21.7 217
  96 44.2 442
  97 42.3 423
  98 3.71 37
  99 5.1 51
  100 3.2 32
  101 6.4 64
  102 0.38 4
  103 1.9 19
  105 1.9 19
  106 3.8 38
  107 0.51 5
  108 6.4 64
  109 14.7 147
  110 23.7 237
  111 2.11 21
  112 8.9 89
  113 3.2 32
  114 6.4 64
  115 0.57 6
  118 1.9 19
  119 4.4 44
  120 4.4 44
  121 0.57 6
  122 5.1 51
  123 16.6 166
  124 10.8 108
  125 1.02 10
  127 3.8 38
  128 3.2 32
  129 4.4 44
  133 0.19 2
  134 5.7 57
  135 7 70
  136 3.8 38
  137 0.89 9
  138 10.8 108
  139 6.4 64
  141 8.9 89
  143 0.25 3
  144 1.9 19
  145 2.5 25
  148 4.4 44
  150 0.25 3
  151 5.7 57
  152 16 160
  153 4.4 44
  154 0.25 3
  156 3.2 32
  159 1.9 19
  161 3.2 32
  162 0.25 3
  165 4.4 44
  166 3.2 32
  170 2.5 25
  175 0.32 3
  179 4.4 44
  180 3.2 32
  184 1.9 19
  192 0.64 6
  193 1.9 19
  194 14.7 147
  195 1.9 19
  199 0.25 3
  205 2.5 25
  208 3.2 32
  209 2.5 25
  211 0.19 2
  215 2.5 25
  218 1.9 19
  225 1.9 19
  236 1.85 19
  237 10.2 102
  238 2.5 25
  268 5.7 57
  269 1.9 19
//