MassBank Record: JP001643



 BENZO(F)QUINOLINE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001643
RECORD_TITLE: BENZO(F)QUINOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: BENZO(F)QUINOLINE CH$NAME: BETA-NAPHTHOQUINOLINE 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$IUPAC: InChI=1S/C13H9N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-9H
AC$INSTRUMENT: VARIAN MAT-44 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-9700000000-8e39aee29b54e05a60d5 PK$NUM_PEAK: 53 PK$PEAK: m/z int. rel.int. 37 4 40 38 11.38 114 39 21.61 216 40 2.56 26 41 1.43 14 49 2.76 28 50 27.44 274 51 21.52 215 52 7.34 73 61 7.32 73 62 17.52 175 63 30.32 303 64 3.68 37 65 1.12 11 73 2.84 28 74 20.41 204 75 31.76 318 76 41.13 411 77 6.76 68 78 1.23 12 85 2.39 24 86 6.5 65 87 8.73 87 88 3.81 38 89 12.75 128 90 3.51 35 97 1 10 98 5.45 55 99 5.74 57 100 3.62 36 101 2.54 25 102 2.82 28 110 1.14 11 111 1.83 18 113 1.72 17 122 1.02 10 124 1.14 11 125 3.36 34 126 7.44 74 127 2.18 22 128 1.14 11 139 1.14 11 149 2.03 20 150 13.55 136 151 23.41 234 152 16.13 161 153 4.59 46 176 1.57 16 177 6.86 69 178 31.35 314 179 99.99 999 180 15.5 155 181 1.19 12 //