ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005374
RECORD_TITLE: (Z)-9-HEXADECENOIC 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$NAME: (Z)-9-HEXADECENOIC ACID METHYL ESTER
CH$NAME: METHYL PALMITOOLEATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₂O₂
CH$EXACT_MASS: 268.24023
CH$SMILES: CCCCCCC([H])=C([H])CCCCCCCC(=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$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-052g-9200000000-e766f1f17f44a600f63e
PK$NUM_PEAK: 110
PK$PEAK: m/z int. rel.int.
  40 1.1 11
  41 23.9 239
  42 5.1 51
  43 99.99 999
  44 66.5 665
  45 4.1 41
  46 8.5 85
  52 0.12 1
  54 22.9 229
  55 97.8 978
  56 21.8 218
  57 1.76 18
  58 1.7 17
  59 21.1 211
  65 2.6 26
  66 0.21 2
  67 27.3 273
  68 18.2 182
  69 51.1 511
  70 1.22 12
  71 6.6 66
  72 1.3 13
  73 5 50
  74 4.6 46
  75 5.9 59
  77 1.9 19
  79 6.5 65
  80 0.35 4
  81 20.4 204
  82 14.8 148
  83 30.9 309
  84 2.7 27
  85 5.3 53
  87 26.9 269
  88 2.7 27
  89 0.11 1
  91 1.9 19
  93 3.2 32
  94 3.7 37
  95 1.49 15
  96 30.3 303
  97 29.8 298
  98 25.5 255
  99 0.35 4
  100 1 10
  101 6.2 62
  105 1.5 15
  107 0.3 3
  108 3 30
  109 11.1 111
  110 19.1 191
  111 1.72 17
  112 6.7 67
  113 3.6 36
  114 4.3 43
  115 0.63 6
  119 3.7 37
  120 1.4 14
  121 4.4 44
  123 1.51 15
  124 10.5 105
  125 9.5 95
  126 2.1 21
  127 0.39 4
  128 4.5 45
  129 4 40
  133 3.9 39
  134 0.31 3
  135 4.5 45
  136 2.6 26
  137 10.1 101
  138 1.01 10
  139 6.2 62
  140 1.9 19
  141 8.5 85
  142 0.15 2
  143 3.3 33
  147 3 30
  148 2.6 26
  149 0.26 3
  150 1.5 15
  151 6.6 66
  152 16.7 167
  153 0.51 5
  155 2.3 23
  161 1.8 18
  163 1.2 12
  165 0.42 4
  166 3.8 38
  167 1.5 15
  171 1.2 12
  175 0.13 1
  179 2.5 25
  180 1.4 14
  185 1.2 12
  192 0.54 5
  193 5.4 54
  194 16.1 161
  195 3.5 35
  207 0.28 3
  208 1.8 18
  218 2.7 27
  219 1.7 17
  225 0.11 1
  235 2.4 24
  236 25.2 252
  237 15.8 158
  238 0.25 3
  268 4.7 47
  269 2.4 24
//