MassBank Record: MSBNK-Keio_Univ-KO003719
ACCESSION: MSBNK-Keio_Univ-KO003719
RECORD_TITLE: Phenazopyridine; LC-ESI-QQ; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 214
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-003r-9100000000-82c1432637ce4b1cf4f4
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
53.100 84158.5 138
54.900 24752.5 41
55.300 24752.5 41
58.800 24752.5 41
64.500 44554.5 73
67.100 94059.5 154
68.000 39604.0 65
77.000 425743.0 698
79.200 148515.0 244
80.200 608911.5 999
81.100 128713.0 211
82.100 247525.0 406
90.800 89109.0 146
92.200 49505.0 81
93.100 207921.0 341
95.000 99010.0 162
102.300 19802.0 32
103.000 74257.5 122
104.300 29703.0 49
105.100 183168.5 301
107.800 59406.0 97
108.400 39604.0 65
121.000 79208.0 130
131.300 19802.0 32
//