MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001299
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001299
RECORD_TITLE: PARA-PHENYLENEDIAMINE; 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$NAME: PARA-PHENYLENEDIAMINE
CH$NAME: PARA-DIAMINOBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H8N2
CH$EXACT_MASS: 108.06875
CH$SMILES: Nc(c1)ccc(N)c1
CH$IUPAC: InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2
CH$LINK: INCHIKEY
CBCKQZAAMUWICA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9021138
AC$INSTRUMENT: HITACHI RMU-7M
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: splash10-0a4i-8900000000-5b42adf83e422cffefb6
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
27 2.32 23
28 5.54 55
38 1.02 10
39 2.83 28
40 1.87 19
41 3.11 31
42 1.58 16
50 1.13 11
51 2.15 22
52 7.52 75
53 11.99 120
53.5 1.41 14
54 12.1 121
55 1.81 18
63 1.98 20
64 2.26 23
65 2.21 22
66 1.3 13
67 2.49 25
78 1.02 10
79 1.81 18
80 33.88 339
81 15.27 153
82 1.47 15
90 1.19 12
91 2.83 28
105 1.07 11
106 1 10
107 25.4 254
108 99.99 999
109 6.79 68
//
system version 2.2.6-SNAPSHOT