MassBank Record: KO008865



 Atropine; LC-ESI-IT; MS3; m/z: 290/124; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO008865
RECORD_TITLE: Atropine; LC-ESI-IT; MS3; m/z: 290/124; [M+H]+
DATE: 2011.12.05 (2008.05.12)
AUTHORS: Ojima YInstitute for Advanced Biosciences, Keio Univ., Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Soga TInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A080
COMMENT: [MS2] KO008864

CH$NAME: Atropine CH$NAME: dl-Hyoscyamine CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H23NO3 CH$EXACT_MASS: 289.16779 CH$SMILES: OCC(C(=O)OC(C2)CC(C3)N(C)C(C3)2)c(c1)cccc1 CH$IUPAC: InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16? CH$LINK: CAS 51-55-8 CH$LINK: CHEBI 16684 CH$LINK: KEGG C01479 CH$LINK: PUBCHEM 4651 CH$LINK: INCHIKEY RKUNBYITZUJHSG-SPUOUPEWSA-N
AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS3 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.90/0.55
MS$FOCUSED_ION: PRECURSOR_M/Z 290/124 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-00dl-8900000000-3aa40d6593a0cb1d50d3 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 77.2 1.92 21 91.1 3.31 36 93.2 85.89 937 124.1 91.57 999 125.1 2.08 23 //