MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008861
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008861
RECORD_TITLE: QUINOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
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$LINK: INCHIKEY
SMWDFEZZVXVKRB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1021798
AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-004i-4900000000-06d1e2a8216798421e17
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
26 1.29 13
27 2.9 29
38 1.81 18
39 3.35 34
41 1.61 16
43 2.9 29
50 7.29 73
51 13.23 132
52 3.1 31
55 1.29 13
57 2.45 25
62 1.87 19
63 3.87 39
64 1.74 17
64.5 4.39 44
71 1.29 13
74 4 40
75 6.52 65
76 8.39 84
77 3.42 34
78 2.45 25
101 5.81 58
102 21.61 216
103 6.52 65
127 3.81 38
128 15.87 159
129 99.99 999
130 10.06 101
//