MassBank Record: MSBNK-Waters-WA002351
ACCESSION: MSBNK-Waters-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
//
system version 2.2.8-SNAPSHOT