MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009459
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009459
RECORD_TITLE: BENZO(H)QUINOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: BENZO(H)QUINOLINE
CH$NAME: ALPHA-NAPHTHOQUINOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H9N
CH$EXACT_MASS: 179.07350
CH$SMILES: c(c3)cc(c1)c(c3)c(n2)c(ccc2)c1
CH$IUPAC: InChI=1S/C13H9N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1-9H
CH$LINK: INCHIKEY
WZJYKHNJTSNBHV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1075199
AC$INSTRUMENT: HITACHI RMU-7L
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: splash10-004i-2900000000-0bdb468c2213d1504abd
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
50 4.2 42
51 4.3 43
52 1.6 16
61 1 10
62 2.7 27
63 7.5 75
74 3.8 38
75 7.5 75
76 9 90
77 2.6 26
86 1.5 15
87 1.9 19
88 1.2 12
89 7.9 79
90 2 20
98 1.6 16
99 2.1 21
100 1.7 17
101 1.8 18
102 1.6 16
124 1 10
125 2.4 24
126 3.9 39
127 1.8 18
128 1.7 17
139 1.5 15
140 1.1 11
149 1.2 12
150 6.1 61
151 9.7 97
152 7.5 75
153 6 60
154 1 10
176 1.4 14
177 4.7 47
178 20.6 206
179 99.99 999
180 17.6 176
181 1 10
//
system version 2.2.6-SNAPSHOT