MassBank Record: MSBNK-Keio_Univ-KO003716
ACCESSION: MSBNK-Keio_Univ-KO003716
RECORD_TITLE: Phenazopyridine; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 214
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-2970000000-0b1e342d0932d1b1e514
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
50.200 183168.5 32
57.300 44554.5 8
67.100 39604.0 7
69.000 39604.0 7
70.700 29703.0 5
72.600 39604.0 7
76.600 29703.0 5
77.000 232673.5 41
78.000 732674.0 128
80.000 29703.0 5
81.300 292079.5 51
82.900 54455.5 10
84.700 24752.5 4
88.200 24752.5 4
91.400 14851.5 3
93.300 49505.0 9
95.100 202970.5 35
97.300 99010.0 17
100.900 44554.5 8
101.900 138614.0 24
105.100 1673269.0 293
105.600 39604.0 7
107.000 89109.0 16
107.400 103960.5 18
108.100 113861.5 20
109.200 168317.0 29
110.100 64356.5 11
111.100 34653.5 6
112.900 69307.0 12
115.000 49505.0 9
119.200 94059.5 16
119.500 24752.5 4
121.100 118812.0 21
122.200 866337.5 151
122.900 128713.0 23
127.300 39604.0 7
131.900 74257.5 13
132.900 103960.5 18
136.000 34653.5 6
137.200 84158.5 15
141.100 74257.5 13
142.400 19802.0 3
146.400 69307.0 12
147.000 39604.0 7
150.300 24752.5 4
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153.900 34653.5 6
155.000 64356.5 11
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169.500 64356.5 11
179.000 321782.5 56
182.100 64356.5 11
196.400 173267.5 30
197.500 1410892.5 247
198.400 168317.0 29
214.300 5712877.0 999
//