MassBank Record: KO002353



 Ne-Acetyllysine; 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: KO002353
RECORD_TITLE: Ne-Acetyllysine; 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 A174

CH$NAME: Ne-Acetyllysine CH$NAME: N6-Acetyl-L-lysine CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H16N2O3 CH$EXACT_MASS: 188.11609 CH$SMILES: CC(=O)NCCCC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1 CH$LINK: CAS 692-04-6 CH$LINK: CHEBI 17752 CH$LINK: CHEMPDB ALY CH$LINK: KEGG C02727 CH$LINK: NIKKAJI J206.006J CH$LINK: PUBCHEM SID:5689
AC$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$FOCUSED_ION: PRECURSOR_M/Z 189 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0900000000-c6ff005564503774a853 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 45.900 79208.0 1 80.400 19802.0 1 84.400 554456.0 3 97.700 29703.0 1 99.400 14851.5 1 113.100 84158.5 1 114.200 9901.0 1 115.700 24752.5 1 116.400 24752.5 1 121.300 34653.5 1 125.400 99010.0 1 126.100 14594074.0 72 129.100 138614.0 1 130.200 188119.0 1 139.000 99010.0 1 143.100 8678226.5 43 144.300 643565.0 3 147.000 19802.0 1 152.800 143564.5 1 154.100 158416.0 1 157.200 415842.0 2 158.100 79208.0 1 171.100 84158.5 1 172.200 970298.0 5 174.200 24752.5 1 189.200 202128915.0 999 //