MassBank Record: KZ000159



 L-Leucine; GC-EI-TOF; MS; 2 TMS; BP:158 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000159
RECORD_TITLE: L-Leucine; GC-EI-TOF; MS; 2 TMS; BP:158
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_04870_P000023

CH$NAME: L-Leucine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H13NO2 CH$EXACT_MASS: 131.09463 CH$SMILES: CC(C)C[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1 CH$LINK: CAS 61-90-5 CH$LINK: KEGG C00123 CH$LINK: INCHIKEY ROHFNLRQFUQHCH-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023203
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 0.0000 AC$CHROMATOGRAPHY: RETENTION_TIME 723.269 sec
MS$FOCUSED_ION: BASE_PEAK 158 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0a4i-0900000000-7033b5fdcd4216168462 PK$NUM_PEAK: 77 PK$PEAK: m/z int. rel.int. 82 4 4 83 3 3 84 14 14 85 6 6 86 31 31 87 6 6 88 3 3 89 2 2 91 1 1 93 1 1 94 1 1 95 1 1 96 4 4 97 2 2 98 5 5 99 9 9 100 83 83 101 14 14 102 189 189 103 35 35 104 7 7 105 4 4 110 1 1 111 1 1 112 3 3 113 2 2 114 5 5 115 28 28 116 38 38 117 15 15 118 3 3 119 4 4 126 2 2 127 1 1 128 18 18 129 6 6 130 29 29 131 15 15 132 15 15 133 29 29 134 5 5 135 2 2 142 16 16 143 4 4 144 3 3 145 1 1 146 3 3 147 92 92 148 15 15 149 7 7 156 5 5 157 3 3 158 999 999 159 119 119 160 34 34 161 3 3 163 1 1 170 8 8 171 2 2 172 1 1 174 3 3 175 1 1 176 2 2 177 2 2 188 1 1 202 1 1 203 2 2 204 1 1 218 22 22 219 4 4 220 1 1 231 1 1 232 29 29 233 7 7 234 2 2 260 6 6 261 1 1 //

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