MassBank Record: KZ000158



 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: KZ000158
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_05061_P000028

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$CHROMATOGRAPHY: RETENTION_TIME 562.863 sec
MS$FOCUSED_ION: BASE_PEAK 158 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0a4i-0900000000-eb7cee37b9d78694010c PK$NUM_PEAK: 83 PK$PEAK: m/z int. rel.int. 82 4 4 83 3 3 84 17 17 85 7 7 86 52 52 87 9 9 88 3 3 89 2 2 90 1 1 94 1 1 96 4 4 97 2 2 98 5 5 99 9 9 100 102 102 101 18 18 102 223 223 103 44 44 104 11 11 105 6 6 110 2 2 111 1 1 112 3 3 113 3 3 114 6 6 115 34 34 116 46 46 117 17 17 118 5 5 119 5 5 120 1 1 124 1 1 126 2 2 127 1 1 128 20 20 129 8 8 130 32 32 131 19 19 132 18 18 133 35 35 134 7 7 135 3 3 136 1 1 140 1 1 141 1 1 142 22 22 143 5 5 144 5 5 145 1 1 146 4 4 147 125 125 148 21 21 149 11 11 150 1 1 156 6 6 157 3 3 158 999 999 159 150 150 160 46 46 161 4 4 163 1 1 170 10 10 171 3 3 172 2 2 173 1 1 174 4 4 175 1 1 176 3 3 177 2 2 188 1 1 202 1 1 203 2 2 204 1 1 216 1 1 218 26 26 219 6 6 220 2 2 231 2 2 232 32 32 233 8 8 234 3 3 260 8 8 261 1 1 //

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