MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005808
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005808
RECORD_TITLE: 6-SEC-BUTYL QUINOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 6-SEC-BUTYL QUINOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H15N
CH$EXACT_MASS: 185.12045
CH$SMILES: CCC(C)c(c1)cc(c2)c(ncc2)c1
CH$IUPAC: InChI=1S/C13H15N/c1-3-10(2)11-6-7-13-12(9-11)5-4-8-14-13/h4-10H,3H2,1-2H3
CH$LINK: INCHIKEY
AUBLFWWZTFFBNU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4052340
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0a4i-0900000000-201b0160571a461d232e
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
29 1.12 11
41 1.09 11
117 1.14 11
127 2.4 24
128 3.98 40
129 2.55 26
130 2.62 26
141 1.36 14
142 7.81 78
143 1.27 13
152 1.46 15
153 2.18 22
154 12.66 127
155 6.41 64
156 99.99 999
157 18.27 183
158 1.22 12
170 6.16 62
185 35.44 354
186 4.72 47
//