MassBank Record: KO001281



 Leu-Leu-Tyr; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001281
RECORD_TITLE: Leu-Leu-Tyr; LC-ESI-QQ; MS2; CE:20 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 L007

CH$NAME: Leu-Leu-Tyr CH$NAME: LLY CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H33N3O5 CH$EXACT_MASS: 407.24202 CH$SMILES: CC(C)CC(N)C(=O)NC(CC(C)C)C(=O)NC(C(O)=O)Cc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C21H33N3O5/c1-12(2)9-16(22)19(26)23-17(10-13(3)4)20(27)24-18(21(28)29)11-14-5-7-15(25)8-6-14/h5-8,12-13,16-18,25H,9-11,22H2,1-4H3,(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1 CH$LINK: CAS 20368-24-5 CH$LINK: KEGG C11331 CH$LINK: PUBCHEM SID:13506
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 406 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-0000900000-3f249dc26eb2195a7231 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 115.600 29703.0 1 149.400 24752.5 1 160.000 24752.5 1 163.100 24752.5 1 180.200 1712873.0 61 182.000 59406.0 2 203.500 29703.0 1 218.200 212871.5 8 225.100 277228.0 10 227.600 14851.5 1 242.100 123762.5 4 245.400 173267.5 6 300.500 113861.5 4 362.700 425743.0 15 370.600 44554.5 2 406.700 28089137.0 999 //