ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004516
RECORD_TITLE: (3-PYRIDYL)METHYL (Z)-9-OCTADECENOATE; 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$NAME: (3-PYRIDYL)METHYL (Z)-9-OCTADECENOATE
CH$NAME: BETA-PICOLINYL OLEATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₃₉NO₂
CH$EXACT_MASS: 373.29808
CH$SMILES: CCCCCCCCC([H])=C([H])CCCCCCCC(=O)OCc(c1)cncc1
CH$IUPAC: InChI=1S/C24H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)27-22-23-18-17-20-25-21-23/h9-10,17-18,20-21H,2-8,11-16,19,22H2,1H3/b10-9-
CH$LINK: CAS 82120-92-1
CH$LINK: INCHIKEY FBPJZADLPOSZEO-KTKRTIGZSA-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$SPLASH: splash10-052f-9520000000-67daa52ec270240878bb
PK$NUM_PEAK: 97
PK$PEAK: m/z int. rel.int.
  41 58.47 585
  42 9.92 99
  43 49.46 495
  51 2.89 29
  53 6.87 69
  54 11.69 117
  55 56.87 569
  56 8.38 84
  57 15.23 152
  58 1.6 16
  63 2.05 21
  64 1.66 17
  65 19.96 200
  66 1.12 11
  67 16.66 167
  68 5.16 52
  69 26.14 261
  70 4.39 44
  71 3.43 34
  77 2.32 23
  78 1.75 18
  79 4.96 50
  80 2.27 23
  81 12.02 120
  82 3.04 30
  83 8.48 85
  84 1.06 11
  85 1.71 17
  87 1.19 12
  89 1.03 10
  91 5.28 53
  92 99.99 999
  93 49.93 499
  94 5.56 56
  95 4.31 43
  97 4.88 49
  102 1.51 15
  103 1.06 11
  105 1.63 16
  106 1.89 19
  107 2.45 25
  108 67.39 674
  109 30.96 310
  110 9.45 95
  111 2.02 20
  113 1.65 17
  116 1.18 12
  118 1.18 12
  120 2.09 21
  123 1.14 11
  130 1.23 12
  132 1.64 16
  133 1.41 14
  134 2.7 27
  135 1.23 12
  137 1.15 12
  139 1.57 16
  141 1.29 13
  151 25.34 253
  152 5.23 52
  153 1.76 18
  161 2.52 25
  162 1.42 14
  164 71.78 718
  165 10.84 108
  166 2.71 27
  177 1.83 18
  178 14.28 143
  179 3.9 39
  190 1.75 18
  192 6.85 69
  193 3.73 37
  204 3.14 31
  206 11.57 116
  207 4.48 45
  209 1.8 18
  220 15.22 152
  221 1.63 16
  234 8.16 82
  246 3.8 38
  247 3.88 39
  248 4.26 43
  256 2.12 21
  260 9.12 91
  261 3.52 35
  270 2.93 29
  274 24.82 248
  275 7.81 78
  288 24.82 248
  289 6.65 67
  302 6.04 60
  316 5.66 57
  330 5.56 56
  344 2.96 30
  372 4.11 41
  373 16.13 161
  374 4.91 49
//