ACCESSION: MSBNK-Waters-WA002350
RECORD_TITLE: Triamcinolone acetonide; LC-ESI-Q; MS; POS; 30 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 30 V

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

PK$SPLASH: splash10-00kr-0003900000-6e93512825968354e111
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  102 16 16
  110 43 43
  115 39 39
  141 20 20
  147 16 16
  150 12 12
  213 20 20
  225 12 12
  242 121 121
  243 12 12
  253 16 16
  275 12 12
  279 20 20
  291 12 12
  293 35 35
  303 16 16
  309 12 12
  321 110 110
  339 219 219
  340 43 43
  341 12 12
  357 255 255
  358 39 39
  359 12 12
  397 282 282
  398 78 78
  415 999 999
  416 176 176
  417 27 27
  435 948 948
  436 188 188
  437 24 24
  473 12 12
  476 51 51
  483 153 153
  484 35 35
//