MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010556
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010556
RECORD_TITLE: DUROQUINONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: DUROQUINONE
CH$NAME: TETRAMETHYL-1,4-BENZOQUINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O2
CH$EXACT_MASS: 164.08373
CH$SMILES: Cc(c(C)1)c(=O)c(C)c(C)c(=O)1
CH$IUPAC: InChI=1S/C10H12O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3
CH$LINK: CAS
527-17-3
CH$LINK: INCHIKEY
WAMKWBHYPYBEJY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID50200659
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$SPLASH: splash10-0h2r-9600000000-31ed0fd06f2ea5d82f03
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
15 2.4 24
17 1.7 17
18 7.5 75
26 4.3 43
27 40.4 404
28 16.2 162
29 5.2 52
32 2.1 21
38 3.5 35
39 42.8 428
40 3.1 31
41 6.9 69
43 5.5 55
50 11.2 112
51 21.7 217
52 15.3 153
53 42.6 426
54 53.6 536
55 9.1 91
62 1.4 14
63 3.9 39
64 1.1 11
65 6.8 68
66 3 30
67 10 100
77 14.5 145
78 3.3 33
79 6.5 65
80 1.7 17
81 1.8 18
82 15.4 154
83 3.8 38
91 20.2 202
92 3.1 31
93 52 520
94 4.7 47
103 1.5 15
105 2.6 26
107 9.6 96
108 17.8 178
109 2.2 22
110 4.5 45
117 1.5 15
119 1.9 19
121 99.99 999
122 9.1 91
135 22.8 228
136 62.6 626
137 6.3 63
149 2.6 26
164 85.2 852
165 10.2 102
166 1.9 19
//
system version 2.2.6-SNAPSHOT