ACCESSION: MSBNK-Keio_Univ-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$LINK: KEGG C07429
CH$LINK: NIKKAJI J4.703A
CH$LINK: PUBCHEM SID:9633
CH$LINK: INCHIKEY QPFYXYFORQJZEC-FOCLMDBBSA-N

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.
  53.3 130.60 24
  54.3 38.61 7
  55.2 5.46 1
  67.1 13.69 2
  77.2 61.91 11
  94.1 17.92 3
  95.1 5482.18 999
  96.1 432.25 79
  96.9 7.38 1
  99.2 2.00 1
  105.2 4.15 1
  107.8 9.85 2
  109.0 0.77 1
  113.1 22.61 4
  114.2 3.46 1
  118.2 10.23 2
  124.9 3.92 1
  136.1 19.99 4
  143.1 4.38 1
  149.0 10.23 2
  150.1 5.69 1
  167.0 1.92 1
  171.1 7.69 1
  199.1 14.69 3
  225.1 7.92 1
  229.2 5.69 1
//