MassBank Record: KO003776



 o-Phenanthroline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003776
RECORD_TITLE: o-Phenanthroline; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 181 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-0900000000-07ee18512e76f5b25dd1 PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 39.200 44554.5 1 45.200 94059.5 1 77.000 262376.5 3 77.800 84158.5 1 91.500 108911.0 1 95.100 69307.0 1 101.100 336634.0 4 103.300 29703.0 1 114.200 24752.5 1 117.200 584159.0 6 119.400 34653.5 1 124.800 118812.0 1 126.000 376238.0 4 127.200 9569316.5 106 128.200 2232675.5 25 128.900 267327.0 3 130.100 108911.0 1 130.500 14851.5 1 141.000 420792.5 5 142.300 178218.0 2 145.000 816832.5 9 146.100 99010.0 1 152.100 1004951.5 11 153.300 1430694.5 16 154.200 31198051.0 346 155.200 1702972.0 19 166.000 84158.5 1 170.200 123762.5 1 177.600 59406.0 1 179.200 8168325.0 91 180.200 2004952.5 22 181.200 89980288.0 999 182.000 44554.5 1 //