MassBank Record: MSBNK-Keio_Univ-KO003805
ACCESSION: MSBNK-Keio_Univ-KO003805
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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 332
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-007c-3900000000-fb37337024398fe8044d
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
57.000 29703.0 21
69.100 39604.0 28
80.800 118812.0 83
83.300 44554.5 31
84.900 39604.0 28
93.000 39604.0 28
94.900 1435645.0 999
97.000 103960.5 72
101.200 74257.5 52
101.400 19802.0 14
105.200 34653.5 24
106.900 44554.5 31
111.100 128713.0 90
118.900 29703.0 21
121.000 1351486.5 940
130.000 24752.5 17
131.100 39604.0 28
135.400 14851.5 10
136.100 14851.5 10
139.200 787129.5 548
149.400 188119.0 131
157.200 113861.5 79
159.000 34653.5 24
161.300 19802.0 14
162.000 49505.0 34
164.200 272277.5 189
164.600 64356.5 45
167.300 74257.5 52
185.200 896040.5 624
199.000 29703.0 21
203.100 207921.0 145
207.500 59406.0 41
208.900 49505.0 34
209.700 19802.0 14
281.400 24752.5 17
332.500 24752.5 17
//