MassBank Record: KO000925



 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: KO000925
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 NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 187 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-3900000000-8b68a3411c22d0adc0b4 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 42.200 59406.0 2 44.200 94059.5 4 55.400 34653.5 1 56.500 113861.5 4 58.000 99010.0 4 72.900 10361396.5 390 82.200 618812.5 23 83.000 202970.5 8 84.300 198020.0 7 85.900 118812.0 4 86.900 19802.0 1 92.400 44554.5 2 96.600 44554.5 2 114.200 584159.0 22 124.800 44554.5 2 125.900 103960.5 4 130.000 26529729.5 999 138.900 103960.5 4 141.000 945545.5 36 143.400 4965351.5 187 150.800 84158.5 3 168.900 39604.0 1 187.000 326733.0 12 //