ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003704
RECORD_TITLE: 3-PHENYLTROPIDINE; 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$NAME: 3-PHENYLTROPIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H17N
CH$EXACT_MASS: 199.13610
CH$SMILES: c(c3)ccc(c3)C(C1)=CC(C2)N(C)C(C2)1
CH$IUPAC: InChI=1S/C14H17N/c1-15-13-7-8-14(15)10-12(9-13)11-5-3-2-4-6-11/h2-6,9,13-14H,7-8,10H2,1H3
CH$LINK: INCHIKEY UXLXGUFVIVPRHL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20938831
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-4900000000-23254e8b2f1676dae018
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  39 5.6 56
  41 4.5 45
  42 6.3 63
  44 0.36 4
  50 1.7 17
  51 6 60
  52 1.9 19
  53 0.16 2
  54 1.5 15
  55 1.9 19
  56 1.7 17
  57 0.52 5
  63 3.3 33
  65 3.6 36
  67 1.6 16
  68 0.22 2
  70 2.5 25
  72 1.2 12
  75 1.4 14
  76 0.18 2
  77 5.7 57
  78 2.1 21
  81 1.5 15
  82 0.29 3
  85 5.2 52
  89 4.8 48
  94 5.8 58
  96 0.04 0
  102 3.2 32
  103 2.3 23
  115 7.6 76
  116 0.17 2
  127 4.3 43
  128 8 80
  129 3.8 38
  141 0.46 5
  142 4.1 41
  143 2.3 23
  152 1.3 13
  153 0.17 2
  154 3.2 32
  155 2.1 21
  157 1.3 13
  167 0.16 2
  168 1.7 17
  169 2 20
  170 99.99 999
  171 2.49 25
  172 2.8 28
  184 2.5 25
  198 1.6 16
  199 1.23 12
  200 2 20
//
