MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010829
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010829
RECORD_TITLE: QUINOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
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$INSTRUMENT: JEOL JMS-AX-505-H
AC$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$SPLASH: splash10-004i-2900000000-5f026eea98547624a47f
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
51 10 100
52 2.09 21
55 1.41 14
62 1.17 12
63 2.96 30
64 1.42 14
65 2.07 21
71 1.48 15
73 1.34 13
74 4.37 44
75 6.4 64
76 8.58 86
77 3.12 31
78 2.54 25
85 1.48 15
91 1.15 12
100 1.14 11
101 6 60
102 22.9 229
103 6.86 69
105 3.55 36
127 1.58 16
128 17.98 180
129 99.99 999
130 10.53 105
//