MassBank Record: KO003028



 Gly-Leu; 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: KO003028
RECORD_TITLE: Gly-Leu; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 189 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000f-9100000000-80e6aa76caa05e8f6b7d PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 30.300 69307.0 76 41.000 128713.0 141 43.200 623763.0 684 44.100 816832.5 896 55.500 34653.5 38 69.000 113861.5 125 72.100 29703.0 33 79.800 24752.5 27 84.400 54455.5 60 86.200 910892.0 999 112.200 178218.0 195 113.200 267327.0 293 //