MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005808

6-SEC-BUTYL QUINOLINE; EI-B; MS

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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

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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

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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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
//