ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008099
RECORD_TITLE: 3-PYRIDYLMETHYL HEXADECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 3-PYRIDYLMETHYL HEXADECANOATE
CH$NAME: PALMITIC ACID PICOLINYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H37NO2
CH$EXACT_MASS: 347.28243
CH$SMILES: CCCCCCCCCCCCCCCC(=O)OCc(c1)cncc1
CH$IUPAC: InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22(24)25-20-21-16-15-18-23-19-21/h15-16,18-19H,2-14,17,20H2,1H3
CH$LINK: INCHIKEY BCEVKZRDQYYDNQ-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-HX-100
AC$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$SPLASH: splash10-06r6-8952000000-6bbe364020f7d155f8f9
PK$NUM_PEAK: 162
PK$PEAK: m/z int. rel.int.
  38 0.66 7
  39 8.04 80
  40 0.54 5
  41 21.24 212
  42 4.96 50
  43 33.94 339
  45 0.17 2
  50 0.24 2
  51 1.25 13
  52 0.58 6
  53 1.96 20
  54 1.5 15
  55 16.93 169
  56 4.86 49
  57 18.57 186
  58 1.17 12
  59 0.32 3
  60 0.3 3
  63 1.38 14
  64 2.5 25
  65 14.58 146
  66 1.57 16
  67 3.04 30
  68 1.41 14
  69 8.79 88
  70 2.31 23
  71 6.9 69
  72 0.62 6
  73 1.2 12
  77 0.12 1
  78 1.73 17
  79 1.83 18
  80 3.28 33
  81 2.65 27
  82 0.76 8
  83 4.93 49
  84 1.29 13
  85 3.19 32
  86 0.48 5
  87 0.65 7
  91 4.73 47
  92 99.99 999
  93 70.11 701
  94 9.29 93
  95 2.17 22
  97 3.21 32
  98 2.45 25
  99 0.75 8
  101 0.71 7
  103 0.21 2
  105 0.2 2
  106 1.62 16
  107 2.68 27
  108 98.25 983
  109 47.6 476
  110 11.68 117
  111 2.07 21
  112 0.87 9
  113 0.4 4
  115 0.51 5
  117 0.26 3
  118 0.54 5
  119 0.11 1
  120 1.75 18
  121 1.84 18
  122 0.59 6
  123 0.55 6
  125 0.5 5
  129 0.33 3
  131 0.43 4
  132 0.61 6
  133 0.53 5
  134 0.61 6
  135 0.82 8
  136 0.75 8
  137 0.68 7
  139 1.04 10
  143 0.62 6
  146 0.25 3
  147 0.22 2
  148 1.53 15
  149 0.04 0
  150 0.62 6
  151 76.41 764
  152 7.95 80
  153 1.18 12
  161 0.45 5
  162 0.75 8
  164 96.11 961
  165 14.8 148
  166 1.55 16
  167 0.54 5
  171 0.47 5
  176 0.48 5
  178 14.93 149
  179 4.32 43
  180 0.61 6
  190 0.7 7
  192 6.05 61
  193 4.04 40
  194 0.48 5
  204 1.38 14
  205 0.26 3
  206 21.69 217
  207 3.81 38
  208 0.85 9
  218 0.68 7
  219 0.89 9
  220 21.87 219
  221 5.73 57
  222 0.84 8
  223 0.51 5
  232 0.46 5
  234 23.62 236
  235 5.23 52
  236 1.07 11
  237 1.1 11
  239 1.31 13
  246 0.8 8
  248 24.08 241
  249 5.51 55
  250 0.91 9
  255 0.51 5
  256 0.37 4
  260 0.14 1
  261 0.5 5
  262 30.67 307
  263 7.21 72
  264 1.19 12
  265 0.08 1
  266 0.29 3
  267 0.25 3
  268 0.21 2
  274 0.68 7
  276 29.11 291
  277 6.75 68
  278 1 10
  281 0.67 7
  282 0.8 8
  283 0.29 3
  285 0.55 6
  288 0.98 10
  289 0.49 5
  290 29.24 292
  291 6.23 62
  292 0.76 8
  295 0.29 3
  304 25.9 259
  305 6.69 67
  306 0.97 10
  313 0.04 0
  316 0.53 5
  318 23.68 237
  319 5.24 52
  320 0.91 9
  332 9.45 95
  333 2.14 21
  342 0.04 0
  346 10.55 106
  347 30.78 308
  348 7.94 79
  349 1.28 13
//
