MassBank Record: KO000247



 N-Acetyl-L-Leucine; 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: KO000247
RECORD_TITLE: N-Acetyl-L-Leucine; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 172 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9000000000-e5aaef8422c96f086069 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 35.300 44554.5 55 39.200 64356.5 79 41.200 811882.0 999 42.300 415842.0 512 43.200 94059.5 116 45.000 94059.5 116 58.300 579208.5 713 65.900 252475.5 311 68.500 44554.5 55 69.300 19802.0 24 79.900 49505.0 61 82.100 168317.0 207 84.400 49505.0 61 85.100 24752.5 30 112.800 9901.0 12 130.300 188119.0 231 //