MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001298
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001298
RECORD_TITLE: META-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$NAME: META-PHENYLENEDIAMINE
CH$NAME: META-DIAMINOBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H8N2
CH$EXACT_MASS: 108.06875
CH$SMILES: Nc(c1)cc(N)cc1
CH$IUPAC: InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2
CH$LINK: INCHIKEY
WZCQRUWWHSTZEM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4021137
AC$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: splash10-0a59-9400000000-30184968c7a5baeb3b5e
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
26 1.37 14
27 7.1 71
28 18.66 187
29 1.56 16
30 1.82 18
37 1.82 18
38 4.1 41
39 8.98 90
40 3.78 38
41 7.88 79
42 3.65 37
43 1.82 18
44 2.34 23
50 2.47 25
51 4.75 48
52 9.11 91
53 15.82 158
54 11.33 113
55 1.5 15
62 1.69 17
63 4.82 48
64 5.92 59
65 5.34 53
66 2.99 30
67 3.91 39
68 1.37 14
78 2.54 25
79 2.34 23
80 67.51 675
81 43.62 436
82 3.26 33
90 1.63 16
91 7.03 70
92 1.17 12
107 14 140
108 99.99 999
109 7.29 73
//