MassBank Record: KO002340



 N-Acetyl-L-Leucine; 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: KO002340
RECORD_TITLE: N-Acetyl-L-Leucine; 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 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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 174 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-9100000000-ba88448ef117528982de PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 43.200 222772.5 59 44.100 94059.5 25 55.000 173267.5 46 57.100 64356.5 17 66.900 19802.0 5 69.000 500000.5 131 71.000 84158.5 22 73.000 34653.5 9 74.100 207921.0 55 75.200 9901.0 3 79.300 64356.5 17 80.600 79208.0 21 83.200 113861.5 30 86.200 3801984.0 999 91.300 59406.0 16 93.000 133663.5 35 95.400 128713.0 34 96.300 49505.0 13 97.300 128713.0 34 98.800 79208.0 21 100.000 29703.0 8 111.100 44554.5 12 111.600 29703.0 8 114.300 356436.0 94 117.700 49505.0 13 118.500 19802.0 5 121.300 123762.5 33 130.000 29703.0 8 132.100 74257.5 20 139.100 49505.0 13 158.400 44554.5 12 174.500 34653.5 9 //