MassBank Record: KZ000235



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

ACCESSION: KZ000235
RECORD_TITLE: L-Norvaline; GC-EI-TOF; MS; x 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_01573_P000059

CH$NAME: L-Norvaline CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H11NO2 CH$EXACT_MASS: 117.07898 CH$SMILES: CCC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 CH$LINK: CAS 6600-40-4 CH$LINK: KEGG C01826 CH$LINK: INCHIKEY SNDPXSYFESPGGJ-BYPYZUCNSA-N
AC$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$CHROMATOGRAPHY: RETENTION_INDEX 1266.7 AC$CHROMATOGRAPHY: RETENTION_TIME 540.963 sec
MS$FOCUSED_ION: BASE_PEAK 144 MS$FOCUSED_ION: DERIVATIVE_TYPE x TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0006-0900000000-a6657581da86b5e16b49 PK$NUM_PEAK: 84 PK$PEAK: m/z int. rel.int. 82 9 9 83 6 6 84 17 17 85 14 14 86 13 13 87 10 10 88 7 7 89 4 4 90 1 1 91 2 2 92 1 1 93 2 2 94 3 3 95 1 1 96 3 3 97 3 3 98 12 12 99 9 9 100 119 119 101 24 24 102 34 34 103 45 45 104 5 5 105 9 9 106 1 1 107 3 3 108 1 1 110 16 16 111 1 1 112 6 6 113 4 4 114 34 34 115 31 31 116 10 10 117 25 25 118 6 6 119 7 7 120 1 1 121 1 1 126 2 2 128 25 25 129 10 10 130 18 18 131 21 21 132 16 16 133 36 36 134 14 14 135 2 2 136 1 1 141 1 1 142 7 7 143 4 4 144 999 999 145 140 140 146 51 51 147 196 196 148 30 30 149 16 16 150 1 1 156 22 22 157 5 5 158 8 8 159 3 3 160 2 2 163 1 1 172 3 3 173 1 1 174 5 5 175 2 2 176 1 1 184 6 6 202 6 6 203 3 3 204 1 1 205 3 3 216 1 1 218 73 73 219 19 19 220 7 7 221 1 1 228 8 8 246 10 10 247 1 1 248 1 1 //

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