MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008157
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008157
RECORD_TITLE: NITROSODURENE; 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$NAME: NITROSODURENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H13NO
CH$EXACT_MASS: 163.09971
CH$SMILES: O=Nc(c(C)1)c(C)c(C)cc(C)1
CH$IUPAC: InChI=1S/C10H13NO/c1-6-5-7(2)9(4)10(11-12)8(6)3/h5H,1-4H3
CH$LINK: INCHIKEY
UDOPFAXNNPAWQS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70372862
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$SPLASH: splash10-05nf-8900000000-850a7f6804240b10c092
PK$NUM_PEAK: 82
PK$PEAK: m/z int. rel.int.
15 1.46 15
18 3.68 37
26 1.34 13
27 17.23 172
28 11.96 120
29 5.2 52
30 16.06 161
32 2.94 29
37 1.05 11
38 4.03 40
39 43.4 434
40 5.99 60
41 41.7 417
42 2.63 26
43 1.11 11
47 0.98 10
49 4.92 49
50 8.35 84
51 26.04 260
52 9.81 98
53 19.01 190
54 1.88 19
55 12.14 121
61 1.19 12
62 4.8 48
63 16.73 167
64 5.48 55
65 23.61 236
66 4.05 41
67 5.02 50
74 3.32 33
75 4.66 47
76 3.34 33
77 36.57 366
78 10.95 110
79 19.24 192
80 1.94 19
81 1.04 10
84 2.62 26
86 2.11 21
87 1.6 16
88 0.87 9
89 5.84 58
90 2.18 22
91 68.84 688
92 8.19 82
93 14.21 142
94 2.18 22
101 1.08 11
102 4.36 44
103 14.58 146
104 4.19 42
105 58.37 584
106 6.33 63
107 5.2 52
108 1.06 11
115 35.85 359
116 16.27 163
117 42.47 425
118 28.78 288
119 6.33 63
120 24.53 245
121 2.71 27
127 1.88 19
128 4.25 43
129 3.35 34
130 3.61 36
131 9.91 99
132 6.37 64
133 99.99 999
134 26.51 265
135 19.71 197
136 2.08 21
144 2.68 27
145 0.91 9
146 4.6 46
147 1.53 15
148 1.54 15
149 1.75 18
162 9.77 98
163 44.79 448
164 5.18 52
//