MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004412
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004412
RECORD_TITLE: 6-NITRO-2-PHENYLINDOLIZINE; 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$NAME: 6-NITRO-2-PHENYLINDOLIZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H10N2O2
CH$EXACT_MASS: 238.07423
CH$SMILES: [O-1][N+1](=O)C(C=3)=Cn(c1)c(C3)cc1c(c2)cccc2
CH$IUPAC: InChI=1S/C14H10N2O2/c17-16(18)14-7-6-13-8-12(9-15(13)10-14)11-4-2-1-3-5-11/h1-10H
CH$LINK: INCHIKEY
MAHPGNZUNZRRFK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID60326551
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$SPLASH: splash10-000i-3970000000-51a6e5bd71b3e3c083d3
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
50 2.7 27
51 4.3 43
62 2.7 27
63 0.85 9
64 1 10
65 1.3 13
69.5 4.9 49
74 0.22 2
75 2.4 24
76 2.8 28
77 3.4 34
81.5 0.25 3
82 3 30
82.5 7.7 77
86 1.3 13
87 0.25 3
88 1.6 16
89 3.5 35
90 1.8 18
95.5 0.52 5
96 2.5 25
102 3.5 35
113 2 20
114 0.16 2
115 8.4 84
119 3 30
126 1.7 17
127 0.12 1
139 6.4 64
140 2.2 22
151 1.1 11
152 0.39 4
153 1.2 12
154 1 10
162 1.2 12
163 1.01 10
164 10 100
165 25.4 254
166 5.8 58
177 0.18 2
181 2.7 27
190 10 100
191 29.1 291
192 6.84 68
193 15.6 156
194 1.3 13
208 1.2 12
238 99.99 999
239 16.8 168
//