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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004511

(3-PYRIDYL)METHYL 4-ETHYL-14-METHYLPENTADECANOATE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004511
RECORD_TITLE: (3-PYRIDYL)METHYL 4-ETHYL-14-METHYLPENTADECANOATE; 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$NAME: (3-PYRIDYL)METHYL 4-ETHYL-14-METHYLPENTADECANOATE
CH$NAME: BETA-PICOLINYL 4-ETHYL-ISOPALMITATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C24H41NO2
CH$EXACT_MASS: 375.31373
CH$SMILES: CC(C)CCCCCCCCCC(CC)CCC(=O)OCc(c1)cncc1
CH$IUPAC: InChI=1S/C24H41NO2/c1-4-22(14-11-9-7-5-6-8-10-13-21(2)3)16-17-24(26)27-20-23-15-12-18-25-19-23/h12,15,18-19,21-22H,4-11,13-14,16-17,20H2,1-3H3
CH$LINK: INCHIKEY CKNSXXBZIRRIDD-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$SPLASH: splash10-06r6-9812000000-7cbf5c9f7f09066afc78
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  53 1.63 16
  54 1.29 13
  55 20.43 204
  56 5.14 51
  57 20.43 204
  64 1.28 13
  65 11.16 112
  66 1.07 11
  67 2.84 28
  68 1.04 10
  69 10.88 109
  70 2.84 28
  71 7.45 75
  80 1.46 15
  81 2.55 26
  83 5.21 52
  85 3.24 32
  92 60.65 607
  93 56.25 563
  94 6.53 65
  95 2.45 25
  97 3.55 36
  106 1.09 11
  108 31.79 318
  109 16 160
  110 5.38 54
  111 2.1 21
  125 1.08 11
  151 39.53 395
  152 3.98 40
  164 99.99 999
  165 11.81 118
  166 1.1 11
  192 1.62 16
  206 10.28 103
  207 2.4 24
  220 2.28 23
  234 4.23 42
  248 3.89 39
  262 4.06 41
  276 6.17 62
  277 1.27 13
  290 8.6 86
  291 1.76 18
  304 8.33 83
  305 2.04 20
  318 7.61 76
  319 1.75 18
  332 15.6 156
  333 3.84 38
  346 5.65 57
  347 1.51 15
  360 8.97 90
  361 2.04 20
  374 2.67 27
  375 5.76 58
  376 1.52 15
//

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