MassBank Record: KO002223



 Atropine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002223
RECORD_TITLE: Atropine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A080

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$LINK: NIKKAJI J231.179H CH$LINK: PUBCHEM SID:4651
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 290 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-0090000000-59d025c22f64675dc295 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 71.300 29703.0 1 73.700 118812.0 1 104.300 1113862.5 2 111.300 59406.0 1 124.200 202970.5 1 130.000 539604.5 1 142.100 490099.5 1 148.200 34653.5 1 159.900 113861.5 1 178.200 64356.5 1 206.000 19802.0 1 214.500 24752.5 1 217.500 99010.0 1 230.500 168317.0 1 230.700 34653.5 1 255.400 79208.0 1 258.200 34653.5 1 272.800 29703.0 1 273.800 405941.0 1 290.500 472351957.5 999 460.900 29703.0 1 506.300 14851.5 1 //