MassBank Record: JP001607



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

ACCESSION: JP001607
RECORD_TITLE: BENZO(B)FLUORANTHENE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: KOGA MUNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: BENZO(B)FLUORANTHENE CH$NAME: 2,3-BENZFLUORANTHENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H12 CH$EXACT_MASS: 252.09390 CH$SMILES: c(c5)cc(c1)c(c5)c(c4)c(c(cc4)2)c1c(c3)c(ccc3)2 CH$IUPAC: InChI=1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H CH$LINK: CAS 205-99-2 CH$LINK: INCHIKEY FTOVXSOBNPWTSH-UHFFFAOYSA-N
AC$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: splash10-0ufr-2890000000-a03f6fadc54abc18c617 PK$NUM_PEAK: 46 PK$PEAK: m/z int. rel.int. 45 1.72 17 51 1.23 12 55 4.19 42 56 1.48 15 57 4.19 42 58 1.97 20 60 1.23 12 63 1.48 15 67 1.23 12 68 1.23 12 69 6.17 62 71 1.23 12 73 1.23 12 74 1.48 15 75 1.72 17 81 2.22 22 83 2.71 27 84 2.71 27 87 2.46 25 88 1.23 12 99 3.45 35 100 6.66 67 101 2.22 22 111 5.67 57 112 20.74 207 113 26.91 269 114 1.23 12 123 3.2 32 124 18.02 180 125 33.58 336 126 41.72 417 127 1.23 12 200 1.72 17 202 1.72 17 222 1.23 12 223 1.23 12 224 4.69 47 225 2.71 27 226 2.71 27 248 5.43 54 249 4.19 42 250 23.45 235 251 8.64 86 252 99.99 999 253 20.49 205 254 1.72 17 //