MassBank Record: KZ000240



 L-Valine; GC-EI-TOF; MS; 2 TMS; BP:144 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000240
RECORD_TITLE: L-Valine; GC-EI-TOF; MS; 2 TMS; BP:144
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_01584_P000071

CH$NAME: L-Valine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H11NO2 CH$EXACT_MASS: 117.07898 CH$SMILES: CC(C)[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1 CH$LINK: CAS 72-18-4 CH$LINK: KEGG C00183 CH$LINK: INCHIKEY KZSNJWFQEVHDMF-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40883233
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 1238.9 AC$CHROMATOGRAPHY: RETENTION_TIME 522.763 sec
MS$FOCUSED_ION: BASE_PEAK 144 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0006-0910000000-23bfcf2795f71f458bda PK$NUM_PEAK: 74 PK$PEAK: m/z int. rel.int. 82 12 12 83 9 9 84 16 16 85 13 13 86 31 31 87 11 11 88 6 6 89 4 4 90 1 1 96 4 4 97 3 3 98 10 10 99 8 8 100 162 162 101 33 33 102 18 18 103 31 31 104 4 4 105 5 5 106 1 1 108 1 1 110 2 2 111 1 1 112 11 11 113 5 5 114 23 23 115 12 12 116 5 5 117 15 15 118 5 5 119 6 6 120 1 1 121 1 1 126 1 1 128 26 26 129 15 15 130 15 15 131 18 18 132 25 25 133 31 31 134 6 6 135 3 3 142 11 11 143 6 6 144 999 999 145 188 188 146 80 80 147 245 245 148 48 48 149 28 28 150 2 2 151 1 1 156 28 28 157 7 7 158 5 5 159 7 7 160 7 7 161 2 2 163 5 5 172 2 2 174 6 6 175 2 2 202 1 1 203 6 6 204 1 1 218 204 204 219 56 56 220 30 30 221 6 6 222 1 1 230 1 1 246 10 10 247 3 3 248 1 1 //

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