MassBank Record: KO000182



 beta-Ala-Lys; 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: KO000182
RECORD_TITLE: beta-Ala-Lys; 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 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 NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 216 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-0920000000-35dcd54078fd75bab228 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 59.000 44554.5 1 96.700 44554.5 1 98.800 19802.0 1 125.800 64356.5 2 126.300 34653.5 1 143.300 4341588.5 128 145.100 33915875.5 999 155.200 326733.0 10 156.200 69307.0 2 172.300 207921.0 6 199.300 59406.0 2 216.200 12841597.0 378 //