ACCESSION: MSBNK-Keio_Univ-KO009193
RECORD_TITLE: Phenazopyridine; LC-ESI-IT; MS3; m/z: 214/95; [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 0.80/0.40

MS$FOCUSED_ION: PRECURSOR_M/Z 214/95
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0002-9000000000-13cddf59a74403448b77
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  68.2 21.01 154
  77.2 3.75 28
  93.2 5.15 38
  94.1 47.99 352
  95.1 136.02 999
  171.1 4.15 30
//