MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003494
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003494
RECORD_TITLE: QUINOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$INSTRUMENT: HITACHI M-60
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-0900000000-589a1fb16b83c4fe8115
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
57 0.43 4
63 0.84 8
75 0.84 8
76 5.52 55
77 2.2 22
78 2.57 26
79 0.5 5
89 0.26 3
101 4.73 47
102 23.8 238
103 7.4 74
104 0.31 3
127 1.35 14
128 17.39 174
129 99.99 999
130 12.47 125
131 0.55 6
//