ACCESSION: MSBNK-EPA-ENTACT_AGILENT000966
RECORD_TITLE: 1,10-Phenanthroline; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1,10-Phenanthroline
CH$NAME: DTXSID1025857
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₈N₂
CH$EXACT_MASS: 180.06874827
CH$SMILES: C1=CC2C=CC=NC=2C2N=CC=CC=21
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$LINK: INCHIKEY DGEZNRSVGBDHLK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:1318

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 181.0760247217
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0fc0-0900000000-cf4c4affb594982f2db3
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  51.022927 1.86437 18
  75.022927 1.837327 18
  77.038577 19.697701 196
  101.038577 11.506545 114
  125.038577 2.367063 23
  126.046402 8.694765 86
  127.054227 65.12826 650
  128.049476 18.061986 180
  129.057301 1.430161 14
  141.057301 1.648066 16
  142.05255 1.337137 13
  152.049476 8.079442 80
  153.057301 13.145496 131
  154.065126 97.757714 976
  155.060375 6.419164 64
  179.060375 21.941258 219
  180.0682 4.652101 46
  181.076025 100 999
//