MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000442
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000442
RECORD_TITLE: 5-HYDROXY-1,2-DIMETHYL-6-NITROINNOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 5-HYDROXY-1,2-DIMETHYL-6-NITROINNOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H10N2O3
CH$EXACT_MASS: 206.06914
CH$SMILES: [O-1][N+1](=O)c(c1)c(O)cc(c2)c1n(C)c(C)2
CH$IUPAC: InChI=1S/C10H10N2O3/c1-6-3-7-4-10(13)9(12(14)15)5-8(7)11(6)2/h3-5,13H,1-2H3
CH$LINK: INCHIKEY
LDKJCZFMASHXCF-UHFFFAOYSA-N
AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9530000000-9e5fedb869803f6f9e35
PK$NUM_PEAK: 86
PK$PEAK: m/z int. rel.int.
39 19.5 195
40 1.6 16
41 12.4 124
42 1.24 12
43 19.5 195
44 2.4 24
45 10.5 105
50 0.31 3
51 7.8 78
52 3.3 33
53 7.2 72
54 0.25 3
55 15 150
56 20.6 206
57 22.1 221
60 0.38 4
62 1.7 17
63 13.4 134
64 5.5 55
65 0.64 6
66 6 60
67 5.5 55
68 2.8 28
69 2.44 24
70 3.3 33
71 11 110
74 1.1 11
75 0.33 3
76 3.3 33
77 18.4 184
78 9.4 94
79 0.4 4
80 1.5 15
81 10.5 105
82 3.2 32
83 0.78 8
84 1.6 16
85 5.5 55
88 1.4 14
89 1.9 19
90 16.5 165
91 11 110
92 2.5 25
93 0.2 2
95 5 50
96 1.6 16
97 6 60
98 0.1 1
99 1.1 11
102 2.3 23
103 8.8 88
104 0.55 6
105 3.3 33
106 1.3 13
107 1.2 12
109 0.29 3
111 3.2 32
115 1.6 16
116 11.6 116
117 1.4 14
118 5.5 55
119 2.1 21
123 1.8 18
125 0.14 1
129 3.7 37
130 26 260
131 37.2 372
132 3.7 37
133 6.6 66
137 1.5 15
144 1.1 11
145 4.3 43
146 4 40
147 2.1 21
148 12 120
149 0.3 3
150 1.1 11
159 3.9 39
160 4.2 42
161 0.76 8
173 5 50
176 11 110
189 2 20
205 0.28 3
206 99.99 999
207 12 120
//