ACCESSION: MSBNK-Keio_Univ-KO003715
RECORD_TITLE: Phenazopyridine; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-03di-3790000000-b512b9204606a7555a5b
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  50.100 579208.5 38
  51.600 24752.5 2
  54.400 49505.0 3
  68.200 648515.5 43
  69.900 103960.5 7
  75.100 29703.0 2
  75.600 34653.5 2
  77.900 2900993.0 192
  80.000 34653.5 2
  80.800 64356.5 4
  82.200 876238.5 58
  84.000 29703.0 2
  86.300 54455.5 4
  91.900 44554.5 3
  95.400 59406.0 4
  96.000 257426.0 17
  101.100 69307.0 5
  102.100 168317.0 11
  105.200 237624.0 16
  106.200 44554.5 3
  107.000 19802.0 1
  110.100 1123763.5 74
  113.800 49505.0 3
  114.600 24752.5 2
  118.300 54455.5 4
  119.100 24752.5 2
  122.200 2653468.0 176
  123.300 44554.5 3
  123.900 267327.0 18
  127.800 34653.5 2
  128.600 14851.5 1
  132.200 108911.0 7
  132.900 103960.5 7
  134.900 29703.0 2
  136.000 54455.5 4
  137.200 168317.0 11
  141.000 24752.5 2
  141.500 29703.0 2
  145.900 74257.5 5
  146.500 34653.5 2
  150.300 148515.0 10
  153.100 148515.0 10
  153.900 405941.0 27
  160.900 138614.0 9
  164.200 123762.5 8
  165.200 29703.0 2
  167.200 34653.5 2
  169.100 9901.0 1
  178.100 44554.5 3
  179.000 430693.5 29
  182.200 168317.0 11
  185.300 29703.0 2
  196.300 445545.0 29
  197.300 5599015.5 371
  214.200 15089124.0 999
//