ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004514
RECORD_TITLE: (3-PYRIDYL)METHYL HEXADECANOATE; 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$NAME: (3-PYRIDYL)METHYL HEXADECANOATE
CH$NAME: BETA-PICOLINYL PALMITATE
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$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-0btc-8952000000-77116ef55e05711b9aa0
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
  51 2.05 21
  52 1.52 15
  53 3.62 36
  54 2.93 29
  55 33.3 333
  56 7.83 78
  57 31.11 311
  58 1.74 17
  60 1.07 11
  63 1.92 19
  64 3.29 33
  65 21.86 219
  66 2.13 21
  67 4.28 43
  68 1.51 15
  69 10.75 108
  70 2.84 28
  71 8.58 86
  73 1.76 18
  78 1.9 19
  79 2.11 21
  80 3.85 39
  81 2.93 29
  83 5.22 52
  84 1.4 14
  85 3.69 37
  91 4.72 47
  92 90.5 905
  93 65.69 657
  94 8.39 84
  95 2.15 22
  97 3.32 33
  106 1.57 16
  108 82.78 828
  109 36.38 364
  110 8.87 89
  111 1.8 18
  120 1.35 14
  121 1.02 10
  133 1.27 13
  134 1.03 10
  148 1.56 16
  151 67.73 677
  152 6.53 65
  153 1.02 10
  164 99.99 999
  165 14.39 144
  166 1.39 14
  178 14.86 149
  179 4.09 41
  192 7.24 72
  193 4.6 46
  204 1.54 15
  206 22.11 221
  207 5.87 59
  220 20.82 208
  221 5.6 56
  234 22.33 223
  235 4.31 43
  248 24.3 243
  249 5.18 52
  262 27.69 277
  263 5.41 54
  276 25.87 259
  277 5.59 56
  290 24.71 247
  291 5.37 54
  304 21.14 211
  305 4.55 46
  318 19.13 191
  319 4.51 45
  332 5.48 55
  333 1.51 15
  346 9.48 95
  347 14.83 148
  348 3.75 38
//