ACCESSION: MSBNK-Keio_Univ-KO003717
RECORD_TITLE: Phenazopyridine; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-05fr-4900000000-ca0b4addc8cef352136e
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  55.400 34653.5 18
  57.000 74257.5 38
  59.100 29703.0 15
  61.000 29703.0 15
  66.900 39604.0 20
  68.900 74257.5 38
  71.100 64356.5 33
  72.700 39604.0 20
  77.000 559406.5 287
  79.400 79208.0 41
  80.100 579208.5 297
  81.000 435644.0 223
  84.600 39604.0 20
  93.000 361386.5 185
  93.200 242574.5 124
  95.100 440594.5 226
  95.900 24752.5 13
  99.200 24752.5 13
  101.700 54455.5 28
  102.900 34653.5 18
  105.100 1643566.0 842
  107.100 212871.5 109
  107.900 84158.5 43
  108.900 514852.0 264
  110.500 108911.0 56
  113.400 24752.5 13
  114.100 24752.5 13
  119.100 183168.5 94
  120.300 158416.0 81
  121.400 400990.5 205
  122.300 1950497.0 999
  123.200 108911.0 56
  131.300 54455.5 28
  133.400 64356.5 33
  135.400 49505.0 25
  137.100 74257.5 38
  140.900 29703.0 15
  149.300 34653.5 18
  151.200 34653.5 18
  155.000 79208.0 41
  157.100 19802.0 10
  165.200 64356.5 33
  166.100 163366.5 84
  167.000 24752.5 13
  169.300 54455.5 28
  170.200 99010.0 51
  178.400 39604.0 20
  180.300 69307.0 35
  182.300 44554.5 23
  197.300 331683.5 170
  198.100 79208.0 41
  214.500 282178.5 145
//