MassBank Record: KO000246



 N-Acetyl-L-Leucine; 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: KO000246
RECORD_TITLE: N-Acetyl-L-Leucine; 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 A145

CH$NAME: N-Acetylleucine CH$NAME: N-Acetyl-L-Leucine CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H15NO3 CH$EXACT_MASS: 173.10519 CH$SMILES: CC(C)C[C@H](NC(C)=O)C(O)=O CH$IUPAC: InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1 CH$LINK: CAS 1188-21-2 CH$LINK: CHEBI 17786 CH$LINK: KEGG C02710 CH$LINK: NIKKAJI J23.189D CH$LINK: PUBCHEM SID:5673
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 172 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-5900000000-7b9d62f34c7b6fc2ae4e PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 35.200 123762.5 15 38.900 54455.5 6 41.200 737624.5 88 42.000 326733.0 39 43.200 178218.0 21 44.700 79208.0 9 57.000 34653.5 4 58.300 1405942.0 168 59.100 49505.0 6 65.900 564357.0 67 68.300 79208.0 9 68.900 49505.0 6 69.800 14851.5 2 71.800 64356.5 8 78.800 54455.5 6 79.300 64356.5 8 82.000 1069308.0 128 84.200 301980.5 36 84.600 64356.5 8 98.800 64356.5 8 112.000 79208.0 9 113.000 99010.0 12 130.100 8376246.0 999 //