MassBank Record: KZ000049



 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: KZ000049
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_01568_P000090

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 1291.2 AC$CHROMATOGRAPHY: RETENTION_TIME 564.162 sec
MS$FOCUSED_ION: BASE_PEAK 158 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0pb9-0900000000-c0176b3cef05fc597576 PK$NUM_PEAK: 107 PK$PEAK: m/z int. rel.int. 82 10 10 83 8 8 84 35 35 85 15 15 86 67 67 87 17 17 88 8 8 89 5 5 90 1 1 91 1 1 94 2 2 95 2 2 96 8 8 97 6 6 98 12 12 99 20 20 100 222 222 101 47 47 102 443 443 103 104 104 104 22 22 105 14 14 106 1 1 107 1 1 110 4 4 111 2 2 112 7 7 113 7 7 114 14 14 115 68 68 116 88 88 117 42 42 118 11 11 119 12 12 120 2 2 121 1 1 122 1 1 123 1 1 124 1 1 125 1 1 126 5 5 127 2 2 128 48 48 129 21 21 130 80 80 131 42 42 132 43 43 133 80 80 134 15 15 135 7 7 136 1 1 137 1 1 138 1 1 139 1 1 140 2 2 141 1 1 142 36 36 143 10 10 144 9 9 145 3 3 146 9 9 147 268 268 148 43 43 149 20 20 150 2 2 156 5 5 157 3 3 158 999 999 159 210 210 160 75 75 161 9 9 162 1 1 163 3 3 170 26 26 171 9 9 172 6 6 173 2 2 174 13 13 175 4 4 176 8 8 177 8 8 178 2 2 184 1 1 186 3 3 187 1 1 188 4 4 189 1 1 190 1 1 202 3 3 203 6 6 204 4 4 205 1 1 216 2 2 217 1 1 218 78 78 219 19 19 220 7 7 221 1 1 230 1 1 231 5 5 232 105 105 233 35 35 234 15 15 235 3 3 260 36 36 261 8 8 262 3 3 //

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