ACCESSION: MSBNK-Keio_Univ-KO003716
RECORD_TITLE: Phenazopyridine; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-03di-2970000000-0b1e342d0932d1b1e514
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  50.200 183168.5 32
  57.300 44554.5 8
  67.100 39604.0 7
  69.000 39604.0 7
  70.700 29703.0 5
  72.600 39604.0 7
  76.600 29703.0 5
  77.000 232673.5 41
  78.000 732674.0 128
  80.000 29703.0 5
  81.300 292079.5 51
  82.900 54455.5 10
  84.700 24752.5 4
  88.200 24752.5 4
  91.400 14851.5 3
  93.300 49505.0 9
  95.100 202970.5 35
  97.300 99010.0 17
  100.900 44554.5 8
  101.900 138614.0 24
  105.100 1673269.0 293
  105.600 39604.0 7
  107.000 89109.0 16
  107.400 103960.5 18
  108.100 113861.5 20
  109.200 168317.0 29
  110.100 64356.5 11
  111.100 34653.5 6
  112.900 69307.0 12
  115.000 49505.0 9
  119.200 94059.5 16
  119.500 24752.5 4
  121.100 118812.0 21
  122.200 866337.5 151
  122.900 128713.0 23
  127.300 39604.0 7
  131.900 74257.5 13
  132.900 103960.5 18
  136.000 34653.5 6
  137.200 84158.5 15
  141.100 74257.5 13
  142.400 19802.0 3
  146.400 69307.0 12
  147.000 39604.0 7
  150.300 24752.5 4
  152.800 39604.0 7
  153.900 34653.5 6
  155.000 64356.5 11
  161.000 74257.5 13
  166.300 361386.5 63
  169.500 64356.5 11
  179.000 321782.5 56
  182.100 64356.5 11
  196.400 173267.5 30
  197.500 1410892.5 247
  198.400 168317.0 29
  214.300 5712877.0 999
//