ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005375
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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-007t-9810000000-5376384ddbf7eb5291de
PK$NUM_PEAK: 139
PK$PEAK: m/z int. rel.int.
  43 7 70
  44 28.5 285
  45 2.6 26
  46 0.59 6
  54 7.2 72
  55 55.2 552
  56 27.8 278
  57 2.71 27
  58 2.3 23
  59 8.3 83
  66 1.4 14
  67 1.56 16
  68 30.3 303
  69 71.9 719
  70 24 240
  71 1.29 13
  72 2.6 26
  73 6.5 65
  74 99.99 999
  75 1.54 15
  79 3.4 34
  80 5.4 54
  81 26.2 262
  82 3.4 34
  83 66.4 664
  84 83.7 837
  85 11.7 117
  87 6.29 63
  88 6 60
  89 3 30
  91 2 20
  92 0.1 1
  93 4.3 43
  94 9.1 91
  95 27.1 271
  96 8.91 89
  97 80.9 809
  98 82.6 826
  99 9 90
  100 0.24 2
  101 16.5 165
  102 2.5 25
  103 1.6 16
  105 0.23 2
  106 1.3 13
  107 5.5 55
  108 8.5 85
  109 2.46 25
  110 56.9 569
  111 50 500
  112 21.3 213
  113 0.91 9
  114 13 130
  115 19 190
  116 3.2 32
  119 0.89 9
  120 3.5 35
  121 10.2 102
  122 9.9 99
  123 4.34 43
  124 32.1 321
  125 29.2 292
  126 6.5 65
  127 1.16 12
  128 14.7 147
  129 12.6 126
  130 3.2 32
  133 1.09 11
  134 9.9 99
  135 11.4 114
  136 7.4 74
  137 3.03 30
  138 33 330
  139 19.4 194
  140 6 60
  141 2.82 28
  142 5.1 51
  143 10.8 108
  144 1.6 16
  146 0.13 1
  147 8.1 81
  148 8.1 81
  149 7.2 72
  150 0.43 4
  151 20.2 202
  152 55.8 558
  153 16.4 164
  154 0.26 3
  155 7.7 77
  156 1.6 16
  157 3.3 33
  158 0.11 1
  161 5.2 52
  162 2.2 22
  163 3.3 33
  164 0.25 3
  165 13.3 133
  166 12.7 127
  167 4.7 47
  168 0.1 1
  169 2.3 23
  171 3.9 39
  172 2.6 26
  175 0.38 4
  176 1.4 14
  177 1.5 15
  178 1.5 15
  179 0.78 8
  180 4.3 43
  181 2.7 27
  183 1.4 14
  185 0.4 4
  186 2.6 26
  189 2.2 22
  191 2.2 22
  192 1.89 19
  193 17.2 172
  194 55.3 553
  195 12.3 123
  196 0.13 1
  199 1.3 13
  200 1.5 15
  207 8.8 88
  208 0.59 6
  217 1.4 14
  218 9.5 95
  219 4.4 44
  221 0.19 2
  225 3.5 35
  235 8 80
  236 89.1 891
  237 4.65 47
  238 7.2 72
  239 1.6 16
  250 1.8 18
  267 0.15 2
  268 17.5 175
  269 10.1 101
  270 1.8 18
//