MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010792
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010792
RECORD_TITLE: ORTHO-PHENYLENEDIAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: ORTHO-PHENYLENEDIAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H8N2
CH$EXACT_MASS: 108.06875
CH$SMILES: Nc(c1)c(N)ccc1
CH$IUPAC: InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2
CH$LINK: INCHIKEY
GEYOCULIXLDCMW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3025881
AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0a4i-7900000000-b90823665900ff559f6d
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
40 2.08 21
42 2.62 26
50 3.34 33
51 4.88 49
52 8.74 87
53 9.93 99
54 10.77 108
63 2.47 25
64 4.28 43
65 2.5 25
66 1.16 12
67 1.93 19
75 1.16 12
76 2.22 22
77 10.13 101
78 3.19 32
79 3.27 33
80 30.72 307
81 9.71 97
90 1.36 14
91 2.92 29
104 4.58 46
105 3.54 35
106 3.56 36
107 19.22 192
108 99.99 999
109 7.33 73
//