MassBank Record: KO003715

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Phenazopyridine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: 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$LINK: INCHIKEY QPFYXYFORQJZEC-FOCLMDBBSA-N
CH$LINK: KEGG C07429
CH$LINK: NIKKAJI J4.703A
CH$LINK: PUBCHEM SID:9633

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.
  50.1 579208.0 38.0
  51.6 24752.5 2.0
  54.4 49505.0 3.0
  68.2 648516.0 43.0
  69.9 103960.0 7.0
  75.1 29703.0 2.0
  75.6 34653.5 2.0
  77.9 2900990.0 192.0
  80.0 34653.5 2.0
  80.8 64356.5 4.0
  82.2 876238.0 58.0
  84.0 29703.0 2.0
  86.3 54455.5 4.0
  91.9 44554.5 3.0
  95.4 59406.0 4.0
  96.0 257426.0 17.0
  101.1 69307.0 5.0
  102.1 168317.0 11.0
  105.2 237624.0 16.0
  106.2 44554.5 3.0
  107.0 19802.0 1.0
  110.1 1123760.0 74.0
  113.8 49505.0 3.0
  114.6 24752.5 2.0
  118.3 54455.5 4.0
  119.1 24752.5 2.0
  122.2 2653470.0 176.0
  123.3 44554.5 3.0
  123.9 267327.0 18.0
  127.8 34653.5 2.0
  128.6 14851.5 1.0
  132.2 108911.0 7.0
  132.9 103960.0 7.0
  134.9 29703.0 2.0
  136.0 54455.5 4.0
  137.2 168317.0 11.0
  141.0 24752.5 2.0
  141.5 29703.0 2.0
  145.9 74257.5 5.0
  146.5 34653.5 2.0
  150.3 148515.0 10.0
  153.1 148515.0 10.0
  153.9 405941.0 27.0
  160.9 138614.0 9.0
  164.2 123762.0 8.0
  165.2 29703.0 2.0
  167.2 34653.5 2.0
  169.1 9901.0 1.0
  178.1 44554.5 3.0
  179.0 430694.0 29.0
  182.2 168317.0 11.0
  185.3 29703.0 2.0
  196.3 445545.0 29.0
  197.3 5599020.0 371.0
  214.2 1.50891E7 999.0
//