MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005701
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005701
RECORD_TITLE: P-BENZOQUINONE DIOXIME; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: P-BENZOQUINONE DIOXIME
CH$NAME: QUINONE DIOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H6N2O2
CH$EXACT_MASS: 138.04293
CH$SMILES: ON=c(c1)ccc(=NO)c1
CH$IUPAC: InChI=1S/C6H6N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4,9-10H/b7-5-,8-6-
CH$LINK: CAS
105-11-3
CH$LINK: INCHIKEY
LNHURPJLTHSVMU-SFECMWDFSA-N
CH$LINK: COMPTOX
DTXSID8021222
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-000i-9800000000-0a69d710699e60bded5e
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
18 0.81 8
26 2.42 24
27 1.24 12
28 2.18 22
29 0.79 8
30 4 40
31 0.69 7
37 1.86 19
38 2.49 25
39 5.72 57
40 2.52 25
41 1.18 12
42 1.27 13
43 1.29 13
44 1.46 15
50 3.15 32
51 6.18 62
52 16.53 165
53 9.73 97
54 1.14 11
55 0.52 5
61 1.41 14
62 2.56 26
63 8.47 85
64 6.06 61
65 4.67 47
66 2.38 24
67 0.96 10
68 1.15 12
69 0.96 10
74 0.98 10
75 1.07 11
76 4.45 45
77 4.65 47
78 17.74 177
79 3.12 31
80 2.03 20
81 0.9 9
87 0.43 4
88 0.75 8
89 0.34 3
90 5.95 60
91 4.64 46
92 1.95 20
93 0.59 6
94 0.46 5
95 2.44 24
103 2.66 27
104 0.71 7
106 1.19 12
107 4.19 42
108 6.05 61
109 0.53 5
121 0.81 8
122 2.63 26
123 1.84 18
136 1.17 12
137 0.88 9
138 99.99 999
139 10.11 101
140 0.87 9
//
system version 2.2.8-SNAPSHOT