MassBank Record: KO003775



 o-Phenanthroline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003775
RECORD_TITLE: o-Phenanthroline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P057

CH$NAME: o-Phenanthroline CH$NAME: 1,10-Phenanthroline CH$COMPOUND_CLASS: N/A CH$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$LINK: CHEBI 476 CH$LINK: CHEMPDB PHN CH$LINK: KEGG C00604 CH$LINK: NIKKAJI J4.844E CH$LINK: PUBCHEM SID:3879 CH$LINK: INCHIKEY DGEZNRSVGBDHLK-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 181 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-0900000000-c48df88a05c1dbab0adc PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 42.800 9901.0 1 44.900 113861.5 1 46.100 34653.5 1 56.900 39604.0 1 59.800 39604.0 1 62.800 74257.5 1 77.200 54455.5 1 90.200 24752.5 1 99.000 39604.0 1 107.100 24752.5 1 116.700 39604.0 1 118.200 59406.0 1 122.800 64356.5 1 127.200 396040.0 2 128.000 118812.0 1 130.100 29703.0 1 140.800 44554.5 1 145.300 19802.0 1 152.000 84158.5 1 153.200 103960.5 1 154.200 3480201.5 18 179.200 1287130.0 7 180.200 331683.5 2 181.200 197752673.0 999 //