MassBank Record: KO002356



 Ne-Acetyllysine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002356
RECORD_TITLE: Ne-Acetyllysine; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 189 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9000000000-8d68337bf7a8db380cd7 PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 41.000 34653.5 1 42.200 34653.5 1 42.900 747525.5 8 46.100 44554.5 1 55.300 173267.5 2 56.000 1688120.5 19 57.100 64356.5 1 67.000 1059407.0 12 68.800 64356.5 1 69.400 64356.5 1 70.100 64356.5 1 71.900 34653.5 1 72.900 24752.5 1 73.900 123762.5 1 80.200 89109.0 1 82.000 168317.0 2 84.200 88668405.5 999 85.000 202970.5 2 93.800 113861.5 1 95.100 84158.5 1 95.800 9901.0 1 98.000 94059.5 1 99.400 14851.5 1 112.000 262376.5 3 126.000 173267.5 2 129.900 89109.0 1 135.900 19802.0 1 //