MassBank Record: KO004216



 Timolol; 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: KO004216
RECORD_TITLE: Timolol; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID T098

CH$NAME: Timolol CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H24N4O3S CH$EXACT_MASS: 316.15691 CH$SMILES: OC(CNC(C)(C)C)COc(n2)c(ns2)N(C1)CCOC1 CH$IUPAC: InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1 CH$LINK: KEGG C07683 CH$LINK: PUBCHEM SID:9885 CH$LINK: INCHIKEY BLJRIMJGRPQVNF-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID4023674
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 317 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-0009000000-d71d621ed511e13fd0fc PK$NUM_PEAK: 39 PK$PEAK: m/z int. rel.int. 74.000 94059.5 1 74.300 14851.5 1 101.800 24752.5 1 113.200 34653.5 1 120.900 29703.0 1 129.900 272277.5 1 143.200 24752.5 1 160.600 14851.5 1 164.800 19802.0 1 171.300 14851.5 1 173.300 14851.5 1 175.000 99010.0 1 182.900 500000.5 1 187.300 29703.0 1 187.900 435644.0 1 197.400 99010.0 1 201.000 118812.0 1 208.800 29703.0 1 212.800 39604.0 1 221.400 24752.5 1 227.400 34653.5 1 231.600 29703.0 1 235.100 29703.0 1 241.100 415842.0 1 243.300 158416.0 1 244.300 2262378.5 2 252.900 24752.5 1 257.300 500000.5 1 259.100 19802.0 1 261.200 17415859.0 12 273.400 44554.5 1 282.600 24752.5 1 285.400 168317.0 1 299.500 361386.5 1 300.700 183168.5 1 317.500 1412620224.5 999 318.500 89109.0 1 487.800 39604.0 1 533.300 29703.0 1 //

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