MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007402
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007402
RECORD_TITLE: QUINOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: QUINOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H7N
CH$EXACT_MASS: 129.05785
CH$SMILES: c(c2)cc(c1)c(c2)ncc1
CH$IUPAC: InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
CH$LINK: CAS
91-22-5
CH$LINK: INCHIKEY
SMWDFEZZVXVKRB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1021798
AC$INSTRUMENT: HITACHI RMU-6M
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-5900000000-f63ba1bba58ccc63c20a
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
17 1.58 16
18 6.72 67
26 0.69 7
27 0.99 10
28 2.18 22
32 0.59 6
37 1.09 11
38 1.98 20
39 3.36 34
49 0.99 10
50 8.6 86
50.5 0.69 7
51 14.04 140
51.5 0.89 9
52 3.07 31
61 1.19 12
62 2.08 21
63 4.15 42
64 2.18 22
64.5 5.24 52
65 0.99 10
73 0.69 7
74 4.45 45
75 7.12 71
76 8.6 86
77 3.16 32
78 1.98 20
79 0.79 8
87 0.79 8
89 0.69 7
98 0.79 8
99 0.79 8
100 0.99 10
101 5.73 57
102 19.78 198
103 6.53 65
127 1.58 16
128 15.13 151
129 99.99 999
130 10.28 103
//