MassBank Record: KZ000051



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

ACCESSION: KZ000051
RECORD_TITLE: L-Norleucine; 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_01572_P000028

CH$NAME: L-Norleucine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H13NO2 CH$EXACT_MASS: 131.09463 CH$SMILES: CCCC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1 CH$LINK: CAS 327-57-1 CH$LINK: KEGG C01933 CH$LINK: INCHIKEY LRQKBLKVPFOOQJ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70883362
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 1341.3 AC$CHROMATOGRAPHY: RETENTION_TIME 595.244 sec
MS$FOCUSED_ION: BASE_PEAK 158 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0a4i-0900000000-b9e660e9ed085e0a2756 PK$NUM_PEAK: 80 PK$PEAK: m/z int. rel.int. 82 7 7 83 4 4 84 20 20 85 12 12 86 45 45 87 10 10 88 4 4 89 3 3 93 1 1 94 1 1 95 1 1 96 5 5 97 3 3 98 13 13 99 4 4 100 93 93 101 18 18 102 39 39 103 26 26 104 4 4 105 5 5 106 1 1 110 2 2 111 1 1 112 5 5 113 3 3 114 42 42 115 27 27 116 8 8 117 14 14 118 4 4 119 5 5 120 1 1 126 2 2 127 1 1 128 22 22 129 10 10 130 20 20 131 19 19 132 19 19 133 35 35 134 7 7 135 3 3 142 8 8 143 3 3 144 4 4 145 1 1 146 4 4 147 112 112 148 19 19 149 11 11 150 1 1 156 6 6 157 3 3 158 999 999 159 149 149 160 47 47 161 5 5 162 1 1 163 1 1 170 12 12 171 3 3 172 2 2 174 4 4 175 1 1 176 1 1 186 3 3 187 1 1 188 1 1 202 2 2 203 2 2 216 1 1 218 21 21 219 4 4 220 1 1 232 28 28 233 8 8 234 3 3 260 6 6 261 1 1 //

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