MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003380
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
//