MassBank Record: JP001609



 INDENO(1,2,3-CD)PYRENE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001609
RECORD_TITLE: INDENO(1,2,3-CD)PYRENE; 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$NAME: INDENO(1,2,3-CD)PYRENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H12 CH$EXACT_MASS: 276.09390 CH$SMILES: c(c6)cc(c(c6)5)c(c4)c(c15)c(c3c4)c(c2cc3)c(ccc2)c1 CH$IUPAC: InChI=1S/C22H12/c1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-12H CH$LINK: CAS 193-39-5
AC$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: splash10-004r-3980000000-4d0e178850db13903033 PK$NUM_PEAK: 51 PK$PEAK: m/z int. rel.int. 45 2.02 20 54 1.44 14 55 10.4 104 56 3.17 32 57 10.11 101 59 1.73 17 60 2.89 29 63 1.15 12 67 2.6 26 68 1.44 14 69 7.8 78 70 1.73 17 71 3.46 35 73 2.6 26 81 2.89 29 82 1.15 12 83 3.46 35 84 1.44 14 85 1.73 17 87 1.15 12 91 2.6 26 92 4.91 49 95 1.15 12 97 1.44 14 98 1.73 17 99 2.02 20 111 4.62 46 112 6.35 64 113 5.2 52 123 6.35 64 124 17.05 171 125 19.65 197 126 2.31 23 135 5.2 52 136 23.98 240 137 49.13 491 138 60.4 604 139 4.04 40 224 1.15 12 246 1.15 12 248 2.89 29 249 1.44 14 250 2.31 23 252 3.46 35 272 5.49 55 273 5.2 52 274 23.12 231 275 16.18 162 276 99.99 999 277 25.14 251 278 6.35 64 //