MassBank Record: MSBNK-Keio_Univ-KO001668
ACCESSION: MSBNK-Keio_Univ-KO001668
RECORD_TITLE: Piroxicam; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 330
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000t-0910000000-42d97ebe5da8190aa202
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
92.800 153465.5 113
119.300 193069.5 142
124.800 14851.5 11
130.000 69307.0 51
130.800 801981.0 591
143.900 74257.5 55
146.000 1356437.0 999
148.300 39604.0 29
162.300 74257.5 55
168.600 29703.0 22
172.400 19802.0 15
192.300 158416.0 117
266.000 183168.5 135
297.600 148515.0 109
330.000 19802.0 15
//