ACCESSION: MSBNK-Keio_Univ-KO003718
RECORD_TITLE: Phenazopyridine; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-053r-9600000000-3269efb012d6f568ca89
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  43.000 44554.5 40
  44.300 14851.5 13
  52.800 14851.5 13
  55.000 69307.0 62
  57.300 79208.0 71
  58.000 19802.0 18
  67.000 103960.5 93
  69.000 44554.5 40
  71.000 49505.0 44
  74.300 14851.5 13
  76.600 64356.5 57
  77.200 599010.5 535
  79.200 198020.0 177
  80.200 1103961.5 986
  81.300 277228.0 248
  82.200 232673.5 208
  83.200 39604.0 35
  84.500 24752.5 22
  91.000 118812.0 106
  91.800 84158.5 75
  93.100 524753.0 469
  94.900 202970.5 181
  95.400 79208.0 71
  102.100 54455.5 49
  102.900 103960.5 93
  105.000 1118813.0 999
  106.900 59406.0 53
  108.100 158416.0 141
  109.000 346535.0 309
  110.100 44554.5 40
  116.900 9901.0 9
  119.400 113861.5 102
  121.400 331683.5 296
  122.100 292079.5 261
  130.000 19802.0 18
  131.800 24752.5 22
  142.500 14851.5 13
  143.700 89109.0 80
  153.800 34653.5 31
  169.200 24752.5 22
  170.200 24752.5 22
  179.000 19802.0 18
  181.900 24752.5 22
  197.300 49505.0 44
//