ACCESSION: MSBNK-Keio_Univ-KO003719
RECORD_TITLE: Phenazopyridine; LC-ESI-QQ; MS2; CE:50 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 P036

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$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 214
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-003r-9100000000-82c1432637ce4b1cf4f4
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  53.100 84158.5 138
  54.900 24752.5 41
  55.300 24752.5 41
  58.800 24752.5 41
  64.500 44554.5 73
  67.100 94059.5 154
  68.000 39604.0 65
  77.000 425743.0 698
  79.200 148515.0 244
  80.200 608911.5 999
  81.100 128713.0 211
  82.100 247525.0 406
  90.800 89109.0 146
  92.200 49505.0 81
  93.100 207921.0 341
  95.000 99010.0 162
  102.300 19802.0 32
  103.000 74257.5 122
  104.300 29703.0 49
  105.100 183168.5 301
  107.800 59406.0 97
  108.400 39604.0 65
  121.000 79208.0 130
  131.300 19802.0 32
//