MassBank Record: KO000264



 Ne-Acetyllysine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000264
RECORD_TITLE: Ne-Acetyllysine; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 187 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000j-0900000000-183e1f50c20603f14c03 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 44.600 24752.5 1 54.900 9901.0 1 58.200 202970.5 5 58.500 39604.0 1 73.600 34653.5 1 96.900 198020.0 5 97.600 24752.5 1 99.100 128713.0 3 111.000 79208.0 2 114.300 74257.5 2 125.100 103960.5 3 125.900 410891.5 11 126.700 79208.0 2 128.100 584159.0 15 138.900 410891.5 11 141.100 1292080.5 34 143.200 2549507.5 67 145.100 20366357.0 531 169.500 158416.0 4 185.200 34653.5 1 187.300 38297068.0 999 //