ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004517
RECORD_TITLE: (3-PYRIDYL)METHYL (Z,Z)-9,12-OCTADECDIENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SEYAMA Y, DEPT. OF PHYSIOL. CHEMISTRY AND NUTRITION, FAC. OF MEDICINE, UNIV. OF TOKYO
LICENSE: CC BY-NC-SA

CH$NAME: (3-PYRIDYL)METHYL (Z,Z)-9,12-OCTADECDIENOATE
CH$NAME: BETA-PICOLINYL LINOLEATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₃₇NO₂
CH$EXACT_MASS: 371.28243
CH$SMILES: CCCCCC([H])=C([H])CC([H])=C([H])CCCCCCCC(=O)OCc(c1)cncc1
CH$IUPAC: InChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)27-22-23-18-17-20-25-21-23/h6-7,9-10,17-18,20-21H,2-5,8,11-16,19,22H2,1H3/b7-6-,10-9-
CH$LINK: CAS 51861-91-7
CH$LINK: INCHIKEY CBIJRFCIJWDVAB-HZJYTTRNSA-N

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$SPLASH: splash10-0006-9311000000-fa54a9f1389920b3008a
PK$NUM_PEAK: 110
PK$PEAK: m/z int. rel.int.
  40 5.39 54
  41 67.61 676
  42 7.62 76
  43 24.27 243
  51 2.69 27
  52 1.84 18
  53 10.21 102
  54 17.33 173
  55 46.12 461
  56 5.13 51
  57 5.35 54
  63 1.87 19
  64 3.3 33
  65 27.02 270
  66 5.41 54
  67 48.94 489
  68 6.18 62
  69 14.73 147
  70 1.5 15
  77 7.69 77
  78 3.66 37
  79 24.83 248
  80 12.61 126
  81 26.65 267
  82 2.32 23
  83 4.2 42
  91 12.35 124
  92 99.99 999
  93 47.93 479
  94 7.21 72
  95 13.82 138
  97 1.54 15
  105 1.27 13
  106 1.77 18
  107 3.94 39
  108 57.32 573
  109 25.91 259
  110 7.37 74
  119 1.28 13
  121 3.08 31
  123 2.8 28
  131 1.32 13
  133 2.37 24
  134 1.14 11
  135 2.42 24
  137 1.68 17
  145 1.07 11
  146 1.18 12
  148 1.44 14
  149 1.59 16
  151 18.57 186
  152 2.26 23
  164 54.59 546
  165 7.23 72
  177 1.17 12
  178 9.63 96
  179 1.98 20
  190 1.87 19
  192 3.51 35
  193 1.25 13
  204 3.69 37
  205 4.02 40
  206 7.89 79
  207 1.07 11
  218 1.48 15
  220 9.17 92
  221 2.01 20
  232 1.16 12
  233 1.06 11
  234 3.97 40
  235 1 10
  246 2.09 21
  247 3.57 36
  248 2.57 26
  256 1.45 15
  258 1.3 13
  260 12.71 127
  261 5.2 52
  262 2.06 21
  272 2.64 26
  273 1.44 14
  274 11.02 110
  275 3.03 30
  276 1.17 12
  279 1.47 15
  286 2.49 25
  287 1.15 12
  288 4.46 45
  289 1.12 11
  296 1.44 14
  298 1.13 11
  300 5.66 57
  301 2.44 24
  302 1.94 19
  310 1.13 11
  314 9.82 98
  315 3.29 33
  316 2.56 26
  328 7.3 73
  329 1.81 18
  330 1.6 16
  342 3.2 32
  343 1.25 13
  344 1.02 10
  356 1.16 12
  370 5.89 59
  371 26.74 267
  372 10.12 101
  373 4.79 48
  374 1.06 11
//