ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004512
RECORD_TITLE: (3-PYRIDYL)METHYL TETRADECANOATE; 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$NAME: (3-PYRIDYL)METHYL TETRADECANOATE
CH$NAME: BETA-PICOLINYL MYRISTATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₃NO₂
CH$EXACT_MASS: 319.25113
CH$SMILES: CCCCCCCCCCCCCC(=O)OCc(c1)cncc1
CH$IUPAC: InChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-20(22)23-18-19-14-13-16-21-17-19/h13-14,16-17H,2-12,15,18H2,1H3
CH$LINK: INCHIKEY UWHPETZHONZXLA-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$SPLASH: splash10-06r6-8950000000-0413ce659d49e51ad874
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
  51 2.29 23
  52 1.54 15
  53 3.54 35
  54 2.23 22
  55 26.96 270
  56 5.82 58
  57 23.21 232
  58 1.19 12
  63 2.27 23
  64 3.29 33
  65 22.15 222
  66 1.9 19
  67 3.61 36
  68 1.26 13
  69 9.66 97
  70 2.21 22
  71 6.73 67
  73 1.6 16
  78 1.99 20
  79 2.24 22
  80 3.79 38
  81 2.72 27
  83 4.66 47
  84 1.24 12
  85 2.47 25
  91 4.4 44
  92 83.06 831
  93 59.41 594
  94 6.2 62
  95 2.23 22
  97 2.98 30
  106 1.44 14
  108 72.91 729
  109 31.91 319
  110 7.57 76
  111 1.68 17
  120 1.12 11
  133 1.02 10
  148 1.53 15
  151 63.58 636
  152 6.05 61
  164 99.99 999
  165 13.88 139
  166 1.48 15
  178 13.85 139
  179 4.04 40
  192 7.23 72
  193 4.18 42
  204 1.38 14
  206 22.39 224
  207 5.55 56
  220 20.55 206
  221 5.43 54
  234 22.79 228
  235 4.18 42
  248 23.55 236
  249 5.32 53
  262 27.32 273
  263 5.13 51
  276 25.16 252
  277 4.98 50
  290 24.48 245
  291 5.29 53
  304 6.23 62
  318 8.49 85
  319 11.25 113
  320 3.01 30
//