MassBank Record: JP011065



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

ACCESSION: JP011065
RECORD_TITLE: BENZO(C)CINNOLINE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: YAMAMOTO MDEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV., DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: BENZO(C)CINNOLINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H8N2 CH$EXACT_MASS: 180.06875 CH$SMILES: c(c3)cc(n1)c(c3)c(c2)c(ccc2)n1 CH$IUPAC: InChI=1S/C12H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h1-8H CH$LINK: CAS 230-17-1 CH$LINK: INCHIKEY SWJXWSAKHXBQSY-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0ue9-2900000000-d416d08b10179a8ca33e PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 27 1.15 12 38 1.95 20 39 4.97 50 50 5.59 56 51 4.63 46 52 1.44 14 61 1.89 19 62 4.69 47 63 12.47 125 64 1.04 10 74 8.74 87 75 9.58 96 76 13.28 133 77 1.76 18 85 1.03 10 86 3.69 37 87 6.13 61 88 1.15 12 98 4.25 43 99 3.8 38 100 2.61 26 101 1.4 14 102 3.98 40 111 1.39 14 113 1.51 15 125 2.85 29 126 15.5 155 127 1.69 17 149 1.34 13 150 18.21 182 151 34.54 345 152 99.99 999 153 13.12 131 180 90.88 909 181 12.84 128 //