ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005017
RECORD_TITLE: 4-(3-PHENYLPROPYL)PYRIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 4-(3-PHENYLPROPYL)PYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H15N
CH$EXACT_MASS: 197.12045
CH$SMILES: c(c2)ccc(c2)CCCc(c1)ccnc1
CH$IUPAC: InChI=1S/C14H15N/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h1-3,5-6,9-12H,4,7-8H2
CH$LINK: INCHIKEY AQIIVEISJBBUCR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5044869
AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052f-9400000000-355f8e7a583eeedc69aa
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  26 2.9 29
  27 7.1 71
  28 9.2 92
  29 0.16 2
  30 1 10
  31 1.6 16
  38 1.4 14
  39 1.54 15
  40 2.4 24
  41 6 60
  42 1.6 16
  43 0.24 2
  44 9.8 98
  45 1 10
  46 1 10
  50 0.4 4
  51 14.6 146
  52 5.6 56
  53 4.2 42
  54 0.21 2
  55 2.2 22
  56 1.3 13
  57 2.8 28
  60 0.16 2
  61 1.3 13
  62 1.8 18
  63 5.8 58
  64 0.11 1
  65 2.8 28
  66 5.5 55
  67 3.7 37
  68 0.11 1
  69 1.3 13
  70 1 10
  71 1 10
  74 0.13 1
  75 1.6 16
  76 2.4 24
  77 22.1 221
  78 1.22 12
  79 12.2 122
  80 2.2 22
  81 1.3 13
  82 0.13 1
  83 1.3 13
  89 4.7 47
  90 2.2 22
  91 9.05 91
  92 47.6 476
  93 99.99 999
  94 7.9 79
  103 0.85 9
  104 15.8 158
  105 26.4 264
  106 47.6 476
  107 0.5 5
  115 3.7 37
  116 1.3 13
  117 3.2 32
  118 0.4 4
  167 2.1 21
  168 2.1 21
  169 1.6 16
  195 0.18 2
  196 4 40
  197 52.4 524
  198 9.6 96
  199 4.8 48
//
