ACCESSION: MSBNK-Waters-WA002347
RECORD_TITLE: Triamcinolone acetonide; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-022j-0960000000-2f1810ec0ad29fae6683
PK$NUM_PEAK: 162
PK$PEAK: m/z int. rel.int.
  101 43 43
  102 12 12
  105 337 337
  107 227 227
  109 204 204
  111 110 110
  113 78 78
  114 16 16
  115 153 153
  117 129 129
  118 90 90
  119 43 43
  121 999 999
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  127 27 27
  128 12 12
  129 39 39
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  143 98 98
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  151 98 98
  153 51 51
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  176 12 12
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  187 235 235
  188 31 31
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  200 16 16
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  264 39 39
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  340 31 31
  342 20 20
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  483 16 16
//