MassBank Record: KO003027



 Gly-Leu; 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: KO003027
RECORD_TITLE: Gly-Leu; 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 G071

CH$NAME: Gly-Leu CH$NAME: Glycyl-L-leucine CH$NAME: Glycyl-leucine CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H16N2O3 CH$EXACT_MASS: 188.11609 CH$SMILES: NCC(=O)N[C@@H](CC(C)C)C(O)=O CH$IUPAC: InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1 CH$LINK: CAS 869-19-2 CH$LINK: KEGG C02155 CH$LINK: NIKKAJI J150.139I CH$LINK: PUBCHEM SID:5232
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: splash10-000i-9000000000-eab8ffe1748c1c1c95a2 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 30.300 242574.5 21 40.400 44554.5 4 43.000 589109.5 50 43.900 801981.0 69 46.100 158416.0 14 58.300 19802.0 2 64.700 34653.5 3 69.300 306931.0 26 73.100 69307.0 6 80.200 34653.5 3 80.900 49505.0 4 84.300 153465.5 13 86.300 11693081.0 999 95.500 29703.0 3 97.900 39604.0 3 112.200 153465.5 13 113.200 856436.5 73 126.200 148515.0 13 132.300 99010.0 8 144.200 158416.0 14 //