ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004513
RECORD_TITLE: (3-PYRIDYL)METHYL PENTADECANOATE; 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$NAME: (3-PYRIDYL)METHYL PENTADECANOATE
CH$NAME: BETA-PICOLINYL PENTADECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₃₅NO₂
CH$EXACT_MASS: 333.26678
CH$SMILES: CCCCCCCCCCCCCCC(=O)OCc(c1)cncc1
CH$IUPAC: InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(23)24-19-20-15-14-17-22-18-20/h14-15,17-18H,2-13,16,19H2,1H3
CH$LINK: INCHIKEY UTNGTSRXVAVXCM-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$SPLASH: splash10-06r6-6951000000-33ce408ba0b477fcb8dd
PK$NUM_PEAK: 80
PK$PEAK: m/z int. rel.int.
  51 1.9 19
  52 1.47 15
  53 3.02 30
  54 2.25 23
  55 24.02 240
  56 4.81 48
  57 11.32 113
  60 1.52 15
  63 2.02 20
  64 3.44 34
  65 19.68 197
  66 2.15 22
  67 3.12 31
  68 1.35 14
  69 7.55 76
  71 2.39 24
  78 1.47 15
  79 1.92 19
  80 3.99 40
  81 2.4 24
  83 2.64 26
  85 2.58 26
  91 4.24 42
  92 79.11 791
  93 59.55 596
  94 7.17 72
  95 1.57 16
  96 1.1 11
  97 2.8 28
  106 1.63 16
  108 78.09 781
  109 35.03 350
  110 7.54 75
  111 1.47 15
  120 1 10
  148 2.43 24
  151 61.44 614
  152 5.93 59
  164 99.99 999
  165 14.1 141
  166 2.26 23
  176 1.06 11
  177 1.24 12
  178 14.24 142
  179 4.36 44
  180 1.03 10
  181 1.21 12
  185 1.52 15
  190 1.49 15
  192 7.38 74
  193 4.05 41
  194 1.57 16
  204 1.1 11
  206 23.08 231
  207 5.7 57
  218 1.14 11
  220 21.74 217
  221 5.12 51
  222 1.19 12
  223 1.43 14
  225 1.28 13
  234 23.39 234
  235 4.6 46
  242 1.21 12
  248 25.54 255
  249 5.76 58
  250 1.49 15
  262 27.44 274
  263 5.64 56
  274 1.57 16
  276 11.91 119
  277 1.56 16
  290 28.62 286
  291 6.48 65
  292 1.58 16
  304 11.46 115
  305 3.31 33
  332 9.61 96
  333 12.52 125
  334 4.99 50
//