ACCESSION: MSBNK-Waters-WA001526
RECORD_TITLE: Tiaprofenic acid; LC-ESI-Q; MS; POS; 60 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Tiaprofenic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₂O₃S
CH$EXACT_MASS: 260.05071
CH$SMILES: OC(=O)C(C)c(c2)sc(c2)C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)
CH$LINK: CAS 33005-95-7
CH$LINK: INCHIKEY GUHPRPJDBZHYCJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5023665

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 16.250 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V, 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0a4i-0910000000-9ea148d43d7286eee1a6
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  105 999 999
  106 43 43
  109 8 8
  110 118 118
  111 161 161
  112 16 16
  118 153 153
  119 8 8
  124 8 8
  127 31 31
  128 8 8
  137 8 8
  138 74 74
  139 180 180
  140 16 16
  141 16 16
  151 12 12
  153 35 35
  154 20 20
  165 12 12
  171 8 8
  172 12 12
  183 137 137
  184 16 16
  185 8 8
  187 67 67
  188 12 12
  189 16 16
  215 71 71
  216 27 27
  217 71 71
  218 8 8
  261 86 86
  262 12 12
  278 16 16
  538 16 16
//