MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010351
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010351
RECORD_TITLE: DIPHENYLCARBAZIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: DIPHENYLCARBAZIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H14N4O
CH$EXACT_MASS: 242.11676
CH$SMILES: O=C(NNc(c2)cccc2)NNc(c1)cccc1
CH$IUPAC: InChI=1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14-15H,(H2,16,17,18)
CH$LINK: INCHIKEY
KSPIHGBHKVISFI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7059690
AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0pbc-9500000000-8f61f60f3768ad7fb183
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
26 1.3 13
27 4.05 41
28 2.58 26
29 9.89 99
30 1.81 18
31 1.97 20
37 1.93 19
38 4.93 49
39 17.23 172
40 2.27 23
41 1.76 18
42 1.06 11
43 4.24 42
44 21.33 213
50 8.35 84
51 23.58 236
52 8.02 80
53 3.69 37
62 1.62 16
63 5.65 57
64 6.35 64
65 25.28 253
66 3.93 39
74 1.96 20
75 1.35 14
76 1.91 19
77 49.77 498
78 15.81 158
79 7.59 76
80 5.31 53
81 1.27 13
91 12.82 128
92 32.86 329
93 65.53 655
94 7.94 79
105 4.32 43
106 3.39 34
107 30.09 301
108 99.99 999
109 7.87 79
134 3.11 31
150 2.13 21
151 61.18 612
152 11 110
242 10.7 107
243 2.75 28
//
system version 2.2.6-SNAPSHOT