ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002185
RECORD_TITLE: CIS-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$NAME: CIS-9-HEXADECENOIC ACID METHYL ESTER
CH$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$LINK: INCHIKEY IZFGRAGOVZCUFB-HJWRWDBZSA-N
CH$LINK: COMPTOX DTXSID00897351

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$SPLASH: splash10-05nb-9300000000-86e7cd0e221b6d5090cf
PK$NUM_PEAK: 96
PK$PEAK: m/z int. rel.int.
  42 1.4 14
  43 1.8 18
  53 7.3 73
  54 2.02 20
  55 99.99 999
  56 18.9 189
  57 17.7 177
  65 0.22 2
  66 1.4 14
  67 34 340
  68 20.4 204
  69 6.22 62
  70 14.2 142
  71 5.9 59
  73 2.6 26
  74 4.44 44
  75 7.5 75
  77 2.2 22
  78 1.2 12
  79 0.85 9
  80 5.3 53
  81 29.3 293
  82 20.8 208
  83 4.3 43
  84 34.8 348
  85 7.5 75
  87 38.1 381
  88 0.26 3
  91 2.4 24
  93 4.8 48
  94 6.1 61
  95 1.93 19
  96 38.5 385
  97 35.5 355
  98 33.8 338
  99 0.44 4
  100 1.6 16
  101 6.7 67
  102 1.4 14
  105 0.14 1
  106 1.2 12
  107 3.2 32
  108 3.2 32
  109 1.2 12
  110 18.9 189
  111 19.1 191
  112 7.3 73
  113 0.34 3
  114 2.8 28
  115 4.8 48
  119 4.2 42
  120 0.22 2
  121 4.4 44
  122 3 30
  123 13.2 132
  124 1.02 10
  125 8.5 85
  126 3 30
  127 3.4 34
  128 0.42 4
  129 3.2 32
  133 2.8 28
  134 3.2 32
  135 0.44 4
  136 2.8 28
  137 7.7 77
  138 9.1 91
  139 0.53 5
  141 6.9 69
  143 2.4 24
  147 1.8 18
  148 0.28 3
  149 2.4 24
  150 1.8 18
  151 5.1 51
  152 1.46 15
  153 4 40
  154 1.2 12
  155 2 20
  161 0.18 2
  165 3.6 36
  166 2.6 26
  172 1.2 12
  175 0.16 2
  179 1.6 16
  180 1.6 16
  192 5.1 51
  193 0.36 4
  194 12.4 124
  195 2.4 24
  208 1.6 16
  218 0.16 2
  236 15.9 159
  237 11.6 116
  238 1.8 18
  268 3.8 38
//