MassBank Record: KO002291



 beta-Ala-Lys; 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: KO002291
RECORD_TITLE: beta-Ala-Lys; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 218 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9000000000-a8dd31fd9ceb0d562d99 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 30.100 49505.0 1 40.700 29703.0 1 55.300 183168.5 4 56.200 341584.5 7 59.100 29703.0 1 60.300 29703.0 1 67.100 579208.5 12 67.600 19802.0 1 68.900 287129.0 6 70.000 193069.5 4 71.200 44554.5 1 72.100 183168.5 4 73.600 29703.0 1 81.200 79208.0 2 82.200 64356.5 1 84.200 47623810.0 999 85.000 504951.0 11 88.900 74257.5 2 95.000 163366.5 3 98.000 59406.0 1 99.100 108911.0 2 101.100 99010.0 2 101.900 108911.0 2 111.100 133663.5 3 112.100 207921.0 4 113.100 34653.5 1 125.700 19802.0 1 129.000 801981.0 17 130.000 1059407.0 22 150.100 54455.5 1 159.900 39604.0 1 //