MassBank Record: KO002292



 beta-Ala-Lys; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002292
RECORD_TITLE: beta-Ala-Lys; LC-ESI-QQ; MS2; CE:50 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 A127

CH$NAME: b-Ala-Lys CH$NAME: beta-Alanyl-L-lysine CH$NAME: beta-Ala-Lys CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H19N3O3 CH$EXACT_MASS: 217.14264 CH$SMILES: NCCCC[C@@H](C(O)=O)NC(=O)CCN CH$IUPAC: InChI=1S/C9H19N3O3/c10-5-2-1-3-7(9(14)15)12-8(13)4-6-11/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1 CH$LINK: KEGG C05341 CH$LINK: PUBCHEM SID:7719
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 218 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9000000000-5a39101fb7012275ee9f PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 42.800 113861.5 5 55.200 242574.5 10 56.300 797030.5 34 60.100 29703.0 1 67.100 831684.0 36 68.000 14851.5 1 69.000 143564.5 6 70.100 128713.0 6 72.000 94059.5 4 74.100 118812.0 5 80.100 24752.5 1 81.200 64356.5 3 82.100 113861.5 5 84.300 23366360.0 999 85.100 99010.0 4 95.100 34653.5 1 100.800 24752.5 1 112.300 44554.5 2 116.900 24752.5 1 155.600 24752.5 1 //