MassBank Record: MSBNK-Keio_Univ-KO001669
ACCESSION: MSBNK-Keio_Univ-KO001669
RECORD_TITLE: Piroxicam; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 330
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001m-2900000000-32c34cd63ced296fee89
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
59.400 34653.5 52
69.900 9901.0 15
91.100 14851.5 22
93.200 460396.5 688
118.800 282178.5 422
131.200 668317.5 999
143.700 84158.5 126
145.900 341584.5 511
146.900 49505.0 74
149.000 89109.0 133
163.600 19802.0 30
192.600 29703.0 44
265.400 24752.5 37
//