MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000492
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000492
RECORD_TITLE: 4-METHYLQUINOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 4-METHYLQUINOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H9N
CH$EXACT_MASS: 143.07350
CH$SMILES: Cc(c1)c(c2)c(ccc2)nc1
CH$IUPAC: InChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3
CH$LINK: INCHIKEY
MUDSDYNRBDKLGK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7047067
AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-3900000000-cabc4f3ce9091effac23
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
15 1.6 16
18 2.6 26
27 1.9 19
39 0.47 5
42 1.2 12
43 16.1 161
44 2.4 24
50 0.32 3
51 4.7 47
52 1.4 14
57 1 10
57.5 0.18 2
58 6.3 63
63 5.9 59
64 1.7 17
65 0.25 3
70.5 1.4 14
71.5 1.8 18
74 2.2 22
75 0.39 4
76 2.6 26
77 4.4 44
78 1 10
87 0.13 1
88 1.6 16
89 6.7 67
90 2.6 26
101 0.28 3
102 2 20
103 1.1 11
104 3.9 39
113 0.17 2
114 2.4 24
115 25.5 255
116 9.5 95
117 0.55 6
128 3.4 34
129 2.2 22
140 2.5 25
141 0.26 3
142 20.2 202
143 99.99 999
144 11.1 111
157 3.8 38
//