MassBank Record: KO009194

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Phenazopyridine; LC-ESI-IT; MS3; m/z: 214/77; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO009194
RECORD_TITLE: Phenazopyridine; LC-ESI-IT; MS3; m/z: 214/77; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P036
COMMENT: [MS2] KO009187

CH$NAME: Phenazopyridine
CH$NAME: 3-(Phenylazo)-2,6-pyridinediamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H11N5
CH$EXACT_MASS: 213.10145
CH$SMILES: Nc(c2)nc(N)c(c2)N=Nc(c1)cccc1
CH$IUPAC: InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)/b16-15+
CH$LINK: CAS 94-78-0
CH$LINK: INCHIKEY QPFYXYFORQJZEC-FOCLMDBBSA-N
CH$LINK: KEGG C07429
CH$LINK: NIKKAJI J4.703A
CH$LINK: PUBCHEM SID:9633

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE: MS3
AC$MASS_SPECTROMETRY: ION_MODE: POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.80/0.60

MS$FOCUSED_ION: PRECURSOR_M/Z 214/77
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0002-9000000000-07ef7111c0df1a564ead
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  53.3 130.60000610351562 24.0
  54.3 38.61000061035156 7.0
  55.2 5.460000038146973 1.0
  67.1 13.6899995803833 2.0
  77.2 61.90999984741211 11.0
  94.1 17.920000076293945 3.0
  95.1 5482.18017578125 999.0
  96.1 432.25 79.0
  96.9 7.380000114440918 1.0
  99.2 2.0 1.0
  105.2 4.150000095367432 1.0
  107.8 9.850000381469727 2.0
  109.0 0.7699999809265137 1.0
  113.1 22.610000610351562 4.0
  114.2 3.4600000381469727 1.0
  118.2 10.229999542236328 2.0
  124.9 3.9200000762939453 1.0
  136.1 19.989999771118164 4.0
  143.1 4.380000114440918 1.0
  149.0 10.229999542236328 2.0
  150.1 5.690000057220459 1.0
  167.0 1.9199999570846558 1.0
  171.1 7.690000057220459 1.0
  199.1 14.6899995803833 3.0
  225.1 7.920000076293945 1.0
  229.2 5.690000057220459 1.0
//