MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010536
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010536
RECORD_TITLE: 6-NITROQUINOLINE; 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$NAME: 6-NITROQUINOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H6N2O2
CH$EXACT_MASS: 174.04293
CH$SMILES: [O-1][N+1](=O)c(c1)cc(c2)c(ncc2)c1
CH$IUPAC: InChI=1S/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6H
CH$LINK: CAS
613-50-3
CH$LINK: INCHIKEY
SMHPLBXIVNQFBA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1020984
AC$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: splash10-00fr-2900000000-44843083b8ef7bcd4db1
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
30 3.43 34
40 1.02 10
47 2.09 21
51 4.06 41
52 5.54 55
53 1.33 13
61 1.42 14
62 3.03 30
63 4.92 49
64 1.19 12
74 7.86 79
75 11.59 116
76 4.36 44
77 8.39 84
78 1.49 15
87 1.47 15
88 1.28 13
89 5.87 59
90 1.2 12
98 2.58 26
99 2.68 27
100 4.45 45
101 22.29 223
102 11.84 118
116 34.89 349
117 3.52 35
127 6.43 64
128 60.77 608
129 6.78 68
144 4.41 44
174 99.99 999
175 11.32 113
//