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MassBank Record: WA002351

Triamcinolone acetonide; LC-ESI-Q; MS; POS; 15 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA002351
RECORD_TITLE: Triamcinolone acetonide; LC-ESI-Q; MS; POS; 15 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 15 V

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

PK$SPLASH: splash10-000i-0000900000-aa0822690e6d47d715d7
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  100 20 20
  101 16 16
  191 63 63
  242 31 31
  415 63 63
  435 999 999
  436 223 223
  437 27 27
  452 16 16
  476 47 47
  477 12 12
//

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