MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000785
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000785
RECORD_TITLE: 9H-PYRIDO(3,4-B)INDOLE; 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$NAME: 9H-PYRIDO(3,4-B)INDOLE
CH$NAME: N0RHARMAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H8N2
CH$EXACT_MASS: 168.06875
CH$SMILES: C1=CC=C2C(=C1)C3=C(N2)C=NC=C3
CH$IUPAC: InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H
CH$LINK: INCHIKEY
AIFRHYZBTHREPW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2021070
AC$INSTRUMENT: VARIAN MAT-44S
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014i-5900000000-3480c725264b958ffc7f
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
41 4.53 45
42 1.56 16
43 4.53 45
44 5.94 59
45 1.56 16
50 5.37 54
51 5.94 59
52 3.11 31
55 3.82 38
56 3.68 37
57 7.36 74
61 2.83 28
62 7.64 76
63 12.59 126
64 4.1 41
65 2.55 26
66 1.13 11
67 1.41 14
69 2.26 23
70 10.04 100
71 1.27 13
73 1.7 17
74 4.95 50
75 0.58 6
76 3.68 37
77 3.39 34
78 1.27 13
83 2.26 23
84 19.52 195
85 3.82 38
86 4.24 42
87 6.08 61
88 8.2 82
89 4.1 41
90 2.97 30
91 1.84 18
98 1.27 13
99 1.41 14
100 1.41 14
101 0.24 2
102 1.84 18
110 1.13 11
111 1.27 13
112 1.98 20
113 15.84 158
114 23.06 231
115 7.07 71
116 1.84 18
117 4.24 42
127 1.56 16
128 4.95 50
129 1.27 13
138 1.41 14
139 4.24 42
140 32.11 321
141 14.71 147
142 4.67 47
143 1.27 13
154 1.27 13
166 2.12 21
167 11.74 117
168 99.99 999
169 13.44 134
170 2.83 28
181 1.13 11
182 3.11 31
//
system version 2.2.8-SNAPSHOT