MassBank Record: KO002288



 beta-Ala-Lys; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002288
RECORD_TITLE: beta-Ala-Lys; LC-ESI-QQ; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 218 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-0090000000-7b406148f08c14c7a44b PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 50.100 39604.0 1 68.200 39604.0 1 69.400 19802.0 1 71.000 39604.0 1 78.200 84158.5 1 82.200 118812.0 1 84.000 381188.5 2 88.100 19802.0 1 89.300 84158.5 1 90.000 34653.5 1 96.300 29703.0 1 101.200 702971.0 4 110.500 19802.0 1 111.200 262376.5 2 112.200 495050.0 3 113.000 49505.0 1 126.800 54455.5 1 129.200 2074259.5 12 130.000 351485.5 2 140.000 39604.0 1 141.200 49505.0 1 144.800 24752.5 1 147.000 366337.0 2 150.100 262376.5 2 152.800 9901.0 1 155.200 103960.5 1 156.500 24752.5 1 158.400 148515.0 1 163.200 99010.0 1 165.000 69307.0 1 168.000 321782.5 2 169.300 69307.0 1 171.200 396040.0 2 182.100 34653.5 1 183.300 475248.0 3 186.200 207921.0 1 189.500 64356.5 1 200.300 5886144.5 34 201.200 5148520.0 30 218.300 172658588.5 999 //