MassBank Record: MSBNK-Keio_Univ-KO003806
ACCESSION: MSBNK-Keio_Univ-KO003806
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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 332
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-006t-9600000000-db1bff24de3a9b89b68d
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
43.100 14851.5 12
57.300 69307.0 54
67.100 64356.5 50
69.100 326733.0 254
79.300 64356.5 50
81.300 193069.5 150
83.300 89109.0 69
90.700 19802.0 15
93.000 183168.5 142
95.100 1287130.0 999
96.100 24752.5 19
97.100 306931.0 238
101.000 84158.5 65
106.800 113861.5 88
111.200 158416.0 123
117.200 14851.5 12
121.400 975248.5 757
130.900 39604.0 31
131.800 24752.5 19
139.300 227723.0 177
148.200 19802.0 15
149.100 44554.5 35
160.400 19802.0 15
184.900 19802.0 15
198.000 19802.0 15
207.400 74257.5 58
//