MassBank Record: KO002354



 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: KO002354
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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 189 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004i-3900000000-dffc604f608a010e711e PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 42.800 24752.5 1 46.000 148515.0 2 72.000 24752.5 1 75.700 14851.5 1 78.400 14851.5 1 80.600 59406.0 1 81.800 44554.5 1 83.400 74257.5 1 84.100 40044594.5 457 85.200 34653.5 1 96.300 24752.5 1 98.000 19802.0 1 101.200 49505.0 1 101.900 49505.0 1 112.100 603961.0 7 114.400 19802.0 1 115.800 29703.0 1 124.100 14851.5 1 125.400 371287.5 4 126.100 87529790.5 999 129.000 336634.0 4 130.000 3331686.5 38 136.300 24752.5 1 140.200 59406.0 1 142.900 5084163.5 58 144.300 227723.0 3 147.200 559406.5 6 153.300 128713.0 1 153.900 84158.5 1 157.100 89109.0 1 159.900 89109.0 1 170.900 54455.5 1 172.100 282178.5 3 189.200 7252482.5 83 //