ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003380
RECORD_TITLE: TRIPHENYL GUANIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: TRIPHENYL GUANIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₁₇N₃
CH$EXACT_MASS: 287.14225
CH$SMILES: c(c3)ccc(c3)NC(Nc(c2)cccc2)=Nc(c1)cccc1
CH$IUPAC: InChI=1S/C19H17N3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,(H2,20,21,22)
CH$LINK: INCHIKEY FUPAJKKAHDLPAZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2059223

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9830000000-3048e32ce5e67d3a0e7f
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  50 3.2 32
  51 14.8 148
  52 2.1 21
  62 3.1 31
  63 4.3 43
  65 11.1 111
  66 9.5 95
  76 0.2 2
  77 24.8 248
  78 2.8 28
  91 11.1 111
  92 1.53 15
  93 59.8 598
  94 3.5 35
  103 2.4 24
  104 0.28 3
  118 2.3 23
  167 2.7 27
  168 2 20
  169 0.33 3
  193 4 40
  194 99.99 999
  195 33.6 336
  196 0.42 4
  286 12.8 128
  287 38.3 383
  288 8 80
//