MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001634
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001634
RECORD_TITLE: QUINOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
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: VARIAN MAT-44
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: splash10-0fb9-9700000000-162da149cecb7471177e
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
32 11.65 117
37 3.65 37
38 6.79 68
39 13.22 132
40 1.69 17
43 1.61 16
44 6.47 65
49 3.6 36
50 25.88 259
51 48.15 482
52 10.16 102
53 1.48 15
61 2.42 24
62 4.73 47
63 10.14 101
64 9.59 96
65 3.22 32
73 1.5 15
74 10.31 103
75 17.83 178
76 22.99 230
77 8.72 87
78 6.85 69
79 1.88 19
87 1.12 11
98 1.1 11
99 1.01 10
100 1.61 16
101 10.61 106
102 42.37 424
103 10.87 109
106 1.01 10
127 1.16 12
128 20 200
129 99.99 999
130 10.63 106
//