MassBank Record: KO009116



 Ketamine; LC-ESI-IT; MS3; m/z: 238/179; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO009116
RECORD_TITLE: Ketamine; LC-ESI-IT; MS3; m/z: 238/179; [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 K005
COMMENT: [MS2] KO009114

CH$NAME: Ketamine CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H16ClNO CH$EXACT_MASS: 237.09204 CH$SMILES: CNC(C2)(C(=O)CCC2)c(c1)c(Cl)ccc1 CH$IUPAC: InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3 CH$LINK: CAS 6740-88-1 CH$LINK: KEGG C07525 CH$LINK: NIKKAJI J244.885H CH$LINK: PUBCHEM SID:9728 CH$LINK: INCHIKEY YQEZLKZALYSWHR-UHFFFAOYSA-N
AC$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 0.70/0.40
MS$FOCUSED_ION: PRECURSOR_M/Z 238/179 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-004i-0900000000-5b34551c0f97e0bdfb0b PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 67.2 2.97 58 125.0 9.02 177 150.8 1.59 31 179.1 50.87 999 180.1 21.72 427 213.2 2.68 53 //