MassBank Record: MSBNK-Keio_Univ-KO003807
ACCESSION: MSBNK-Keio_Univ-KO003807
RECORD_TITLE: Piroxicam; 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 P068
CH$NAME: Piroxicam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H13N3O4S
CH$EXACT_MASS: 331.06268
CH$SMILES: c(c3)cnc(c3)NC(=O)C(=C(O)1)N(C)S(=O)(=O)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)
CH$LINK: CAS
36322-90-4
CH$LINK: KEGG
C01608
CH$LINK: NIKKAJI
J3.498C
CH$LINK: PUBCHEM
SID:4761
CH$LINK: INCHIKEY
QYSPLQLAKJAUJT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5021170
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 332
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00r2-9200000000-22caea8b3219419be51f
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
57.200 59406.0 102
67.000 64356.5 111
69.000 326733.0 564
71.700 19802.0 34
78.900 108911.0 188
81.400 163366.5 282
90.800 34653.5 60
93.100 118812.0 205
95.100 579208.5 999
96.900 103960.5 179
107.400 24752.5 43
121.200 351485.5 606
136.000 24752.5 43
148.900 19802.0 34
152.800 39604.0 68
207.100 24752.5 43
209.400 24752.5 43
//