MassBank Record: MSBNK-Keio_Univ-KO003715
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
//