MassBank Record: MSBNK-Keio_Univ-KO003804
ACCESSION: MSBNK-Keio_Univ-KO003804
RECORD_TITLE: Piroxicam; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 332
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000f-3984000000-e855ded4bfe08c600884
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
85.000 9901.0 8
88.900 9901.0 8
94.900 1044555.5 811
97.000 29703.0 23
101.400 59406.0 46
111.400 99010.0 77
120.900 633664.0 492
129.400 173267.5 134
132.300 19802.0 15
135.100 39604.0 31
139.100 69307.0 54
149.000 44554.5 35
157.300 44554.5 35
161.500 9901.0 8
164.100 341584.5 265
168.400 14851.5 12
171.800 29703.0 23
185.400 1287130.0 999
191.200 14851.5 12
199.200 84158.5 65
203.300 400990.5 311
213.300 74257.5 58
215.900 34653.5 27
217.100 44554.5 35
223.000 94059.5 73
225.500 24752.5 19
232.600 49505.0 38
233.400 113861.5 88
241.300 1267328.0 984
259.400 792080.0 615
297.700 44554.5 35
315.600 440594.5 342
332.400 1138615.0 884
//