ACCESSION: MSBNK-Waters-WA002349
RECORD_TITLE: Triamcinolone acetonide; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Triamcinolone acetonide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₃₁FO₆
CH$EXACT_MASS: 434.21047
CH$SMILES: C(C3O)C(C4(C(=O)CO)5)(C(CC4OC(C)(C)O5)(C(C32F)([H])CCC(C2(C)1)=CC(=O)C=C1)[H])C
CH$IUPAC: InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1
CH$LINK: CAS 76-25-5
CH$LINK: INCHIKEY YNDXUCZADRHECN-JNQJZLCISA-N
CH$LINK: COMPTOX DTXSID6021371

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 15.330 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 45 V

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

PK$SPLASH: splash10-000j-0389200000-daafa225dc69ffc06df8
PK$NUM_PEAK: 129
PK$PEAK: m/z int. rel.int.
  101 59 59
  105 43 43
  107 12 12
  111 43 43
  115 31 31
  118 47 47
  121 47 47
  123 31 31
  125 16 16
  126 24 24
  133 20 20
  135 39 39
  137 31 31
  139 27 27
  141 24 24
  142 31 31
  145 16 16
  147 172 172
  148 16 16
  149 12 12
  151 59 59
  152 16 16
  153 24 24
  155 24 24
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  161 98 98
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  173 51 51
  175 59 59
  179 31 31
  181 16 16
  185 55 55
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  195 16 16
  197 43 43
  199 39 39
  203 20 20
  207 12 12
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  211 39 39
  213 208 208
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  215 24 24
  217 12 12
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  223 129 129
  224 31 31
  225 251 251
  226 27 27
  227 55 55
  233 24 24
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  239 94 94
  241 71 71
  242 227 227
  243 39 39
  245 12 12
  247 12 12
  249 47 47
  251 71 71
  252 12 12
  253 165 165
  255 27 27
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  261 47 47
  262 20 20
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  267 27 27
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  277 51 51
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  417 12 12
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  483 118 118
  484 24 24
//