MassBank Record: KO003026



 Gly-Leu; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003026
RECORD_TITLE: Gly-Leu; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 189 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-9000000000-dc63ae2d4fc2193e80f2 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 30.100 168317.0 3 43.300 39604.0 1 44.100 123762.5 2 46.100 217822.0 4 56.900 14851.5 1 69.000 188119.0 4 70.400 19802.0 1 72.900 49505.0 1 73.100 34653.5 1 80.300 24752.5 1 84.300 282178.5 5 86.200 53658469.5 999 87.400 14851.5 1 97.200 29703.0 1 98.000 103960.5 2 99.100 64356.5 1 104.200 29703.0 1 112.800 574258.0 11 113.800 59406.0 1 126.200 386139.0 7 130.200 39604.0 1 132.100 1930695.0 36 143.300 193069.5 4 144.100 935644.5 17 146.000 24752.5 1 //