MassBank Record: KZ000093



 o-Phenanthroline; GC-EI-TOF; MS; 0 TMS; BP:180 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000093
RECORD_TITLE: o-Phenanthroline; GC-EI-TOF; MS; 0 TMS; BP:180
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_04976_P000062

CH$NAME: 1,10-Phenanthroline CH$NAME: o-Phenanthroline CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C12H8N2 CH$EXACT_MASS: 180.06875 CH$SMILES: c(c3)cc(c1)c(n3)c(n2)c(ccc2)c1 CH$IUPAC: InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H CH$LINK: CAS 66-71-7 CH$LINK: KEGG C00604 CH$LINK: INCHIKEY DGEZNRSVGBDHLK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1025857
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 0.0000 AC$CHROMATOGRAPHY: RETENTION_TIME 1171.31 sec
MS$FOCUSED_ION: BASE_PEAK 180 MS$FOCUSED_ION: DERIVATIVE_TYPE 0 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-003r-1900000000-bf66a4d49c83dd24535e PK$NUM_PEAK: 51 PK$PEAK: m/z int. rel.int. 84 2 2 85 13 13 86 28 28 87 48 48 88 25 25 89 22 22 90 125 125 91 2 2 97 8 8 98 51 51 99 89 89 100 96 96 101 60 60 102 40 40 103 15 15 104 3 3 109 1 1 110 4 4 111 6 6 112 5 5 113 8 8 114 9 9 115 2 2 121 1 1 122 5 5 123 11 11 124 20 20 125 123 123 126 108 108 127 131 131 128 32 32 129 71 71 130 7 7 138 1 1 139 1 1 140 3 3 141 1 1 150 5 5 151 36 36 152 122 122 153 207 207 154 223 223 155 26 26 156 1 1 177 9 9 178 17 17 179 476 476 180 999 999 181 148 148 182 12 12 183 1 1 //

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