MassBank Record: WA001956



 Captopril; LC-ESI-Q; MS; POS; 15 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001956
RECORD_TITLE: Captopril; LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: , Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Captopril CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H15NO3S CH$EXACT_MASS: 217.07726 CH$SMILES: SCC(C)C(=O)N(C1)C(CC1)C(O)=O CH$IUPAC: InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 CH$LINK: CAS 62571-86-2 CH$LINK: INCHIKEY FAKRSMQSSFJEIM-RQJHMYQMSA-N CH$LINK: COMPTOX DTXSID1037197
AC$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$CHROMATOGRAPHY: RETENTION_TIME 11.690 min AC$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: splash10-014i-0090000000-4cd93a5a43f82170eb83 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 172 8 8 200 12 12 218 999 999 219 82 82 220 51 51 240 35 35 256 39 39 263 8 8 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)