ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004515
RECORD_TITLE: (3-PYRIDYL)METHYL OCTADECANOATE; 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$NAME: (3-PYRIDYL)METHYL OCTADECANOATE
CH$NAME: BETA-PICOLINYL STEARATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₄₁NO₂
CH$EXACT_MASS: 375.31373
CH$SMILES: CCCCCCCCCCCCCCCCCC(=O)OCc(c1)cncc1
CH$IUPAC: InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)27-22-23-18-17-20-25-21-23/h17-18,20-21H,2-16,19,22H2,1H3
CH$LINK: CAS 82120-89-6
CH$LINK: INCHIKEY MSCVPMAJZWQQRO-UHFFFAOYSA-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$SPLASH: splash10-0a4l-8931000000-740abea74da10bb5b080
PK$NUM_PEAK: 88
PK$PEAK: m/z int. rel.int.
  53 2.42 24
  54 3.52 35
  55 34.16 342
  56 8.58 86
  57 31.83 318
  58 1.92 19
  63 1.79 18
  64 2.42 24
  65 18.63 186
  66 2.21 22
  67 2.95 30
  68 1.11 11
  69 13.12 131
  70 3.08 31
  71 9.7 97
  73 1.07 11
  78 1.7 17
  79 1.48 15
  80 2.52 25
  81 2.12 21
  82 1.12 11
  83 4.99 50
  84 1.16 12
  85 3.71 37
  91 3.73 37
  92 90.68 907
  93 70.32 703
  94 8.94 89
  95 1.67 17
  97 3.06 31
  106 1.81 18
  107 3.32 33
  108 99.99 999
  109 47.26 473
  110 10.05 101
  111 1.79 18
  120 2.27 23
  121 1.02 10
  133 1.4 14
  134 1.31 13
  135 1.13 11
  148 2.36 24
  151 60.23 602
  152 4.82 48
  164 78.45 785
  165 10.2 102
  166 1.44 14
  178 10.73 107
  179 2.67 27
  190 1.14 11
  191 1.38 14
  192 5.33 53
  193 3.71 37
  204 1.92 19
  206 16.37 164
  207 5.01 50
  218 1.09 11
  220 14.64 146
  221 4.58 46
  234 15.33 153
  235 3.68 37
  246 1.15 12
  247 1.06 11
  248 16.11 161
  249 4.1 41
  260 1.49 15
  262 16.23 162
  263 3.79 38
  274 1.26 13
  276 15.09 151
  277 3.33 33
  288 1.62 16
  290 13.28 133
  291 3.15 32
  302 2.66 27
  304 11.47 115
  305 3.11 31
  316 2.59 26
  318 9.83 98
  319 2.64 26
  330 1.11 11
  332 8.58 86
  333 2.21 22
  346 6.58 66
  347 1.75 18
  360 2.22 22
  375 5.89 59
  376 2.37 24
//