MassBank Record: KZ000160



 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: KZ000160
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_05473_P000019

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 0.0000 AC$CHROMATOGRAPHY: RETENTION_TIME 592.662 sec
MS$FOCUSED_ION: BASE_PEAK 158 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0a4i-0900000000-363d31fc4a3b15b97b49 PK$NUM_PEAK: 75 PK$PEAK: m/z int. rel.int. 82 3 3 83 2 2 84 9 9 85 7 7 86 17 17 87 5 5 88 2 2 89 1 1 94 1 1 96 3 3 97 2 2 98 8 8 99 3 3 100 60 60 101 12 12 102 29 29 103 20 20 104 3 3 105 3 3 110 1 1 112 3 3 113 2 2 114 27 27 115 19 19 116 6 6 117 12 12 118 3 3 119 4 4 120 1 1 126 1 1 128 17 17 129 7 7 130 16 16 131 16 16 132 15 15 133 29 29 134 6 6 135 2 2 142 6 6 143 3 3 144 2 2 146 3 3 147 100 100 148 17 17 149 9 9 150 1 1 156 7 7 157 2 2 158 999 999 159 162 162 160 55 55 161 6 6 162 1 1 163 1 1 170 15 15 171 3 3 172 2 2 174 4 4 175 1 1 176 1 1 186 4 4 187 1 1 188 1 1 202 3 3 203 2 2 204 1 1 216 2 2 218 27 27 219 6 6 220 2 2 232 40 40 233 12 12 234 4 4 260 10 10 261 2 2 //

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