MassBank Record: MSBNK-Keio_Univ-KO001667
ACCESSION: MSBNK-Keio_Univ-KO001667
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 330
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014j-0591000000-7d11d429795ac27fa093
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
59.200 34653.5 21
130.000 19802.0 12
130.900 123762.5 76
146.000 618812.5 380
148.300 34653.5 21
162.100 222772.5 137
169.100 262376.5 161
171.700 19802.0 12
192.200 74257.5 46
210.000 267327.0 164
266.300 1628714.5 999
297.200 371287.5 228
330.200 435644.0 267
//