MassBank Record: KO003775

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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)

ACCESSION: KO003775
RECORD_TITLE: o-Phenanthroline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, 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$LINK: COMPTOX DTXSID1025857
CH$LINK: INCHIKEY DGEZNRSVGBDHLK-UHFFFAOYSA-N
CH$LINK: KEGG C00604
CH$LINK: NIKKAJI J4.844E
CH$LINK: PUBCHEM SID:3879

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.
  42.8 9901.0 1.0
  44.9 113862.0 1.0
  46.1 34653.5 1.0
  56.9 39604.0 1.0
  59.8 39604.0 1.0
  62.8 74257.5 1.0
  77.2 54455.5 1.0
  90.2 24752.5 1.0
  99.0 39604.0 1.0
  107.1 24752.5 1.0
  116.7 39604.0 1.0
  118.2 59406.0 1.0
  122.8 64356.5 1.0
  127.2 396040.0 2.0
  128.0 118812.0 1.0
  130.1 29703.0 1.0
  140.8 44554.5 1.0
  145.3 19802.0 1.0
  152.0 84158.5 1.0
  153.2 103960.0 1.0
  154.2 3480200.0 18.0
  179.2 1287130.0 7.0
  180.2 331684.0 2.0
  181.2 1.97752992E8 999.0
//