ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009580
RECORD_TITLE: BENZO(F)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$NAME: BENZO(F)QUINOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₉N
CH$EXACT_MASS: 179.07350
CH$SMILES: c(c3)cc(c1)c(c3)c(c2)c(ncc2)c1
CH$IUPAC: InChI=1S/C13H9N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-9H
CH$LINK: INCHIKEY HCAUQPZEWLULFJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2024585

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$SPLASH: splash10-004i-2900000000-aaacc4057c354eefecab
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  31 1 10
  39 1.39 14
  50 2.34 23
  51 2.18 22
  62 2.18 22
  63 6.07 61
  74 3.37 34
  75 6.29 63
  76 12.63 126
  77 1.46 15
  86 1.14 11
  87 1.63 16
  89 6.44 64
  98 1.48 15
  99 1.74 17
  100 1.18 12
  101 1.03 10
  102 1.09 11
  125 1.73 17
  126 4.3 43
  127 1.28 13
  150 8.49 85
  151 17.13 171
  152 13.25 133
  153 3.99 40
  176 1.43 14
  177 5.98 60
  178 23.53 235
  179 99.99 999
  180 18.2 182
  181 1.44 14
//