MassBank Record: KZ000001



 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: KZ000001
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_01379_P000053

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$CHROMATOGRAPHY: RETENTION_INDEX 2687.7 AC$CHROMATOGRAPHY: RETENTION_TIME 1126.71 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: splash10-0fai-1900000000-8bf54d7a505254cd0f42 PK$NUM_PEAK: 55 PK$PEAK: m/z int. rel.int. 84 4 4 85 19 19 86 42 42 87 73 73 88 36 36 89 30 30 90 162 162 91 3 3 96 1 1 97 11 11 98 72 72 99 125 125 100 134 134 101 82 82 102 55 55 103 21 21 104 4 4 109 2 2 110 6 6 111 9 9 112 7 7 113 11 11 114 12 12 115 3 3 116 1 1 120 1 1 121 1 1 122 8 8 123 15 15 124 28 28 125 166 166 126 151 151 127 180 180 128 45 45 129 93 93 130 9 9 138 1 1 139 1 1 140 3 3 141 1 1 142 1 1 150 7 7 151 52 52 152 167 167 153 273 273 154 284 284 155 35 35 156 2 2 177 9 9 178 15 15 179 472 472 180 999 999 181 149 149 182 11 11 183 1 1 //

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