MassBank Record: KO000265



 Ne-Acetyllysine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000265
RECORD_TITLE: Ne-Acetyllysine; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 187 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-1900000000-da02d0f8bd73b5b96b46 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 41.900 59406.0 6 45.300 148515.0 16 58.200 1351486.5 145 67.700 14851.5 2 69.800 34653.5 4 72.200 54455.5 6 74.100 24752.5 3 97.100 643565.0 69 99.200 153465.5 16 111.400 103960.5 11 113.900 188119.0 20 125.700 262376.5 28 126.300 113861.5 12 127.000 44554.5 5 128.100 287129.0 31 139.100 554456.0 59 141.000 430693.5 46 143.200 490099.5 52 145.200 9326742.0 999 187.200 1351486.5 145 //