MassBank Record: PR010065



 L-Norvaline; GC-EI-TOF; MS; 4 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010065
RECORD_TITLE: L-Norvaline; GC-EI-TOF; MS; 4 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: L-Norvaline CH$NAME: (S)-2-Aminopentanoic acid CH$NAME: L-2-Aminopentanoic acid CH$NAME: L-2-Aminovaleric acid 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$LINK: CHEBI 18314 CH$LINK: KEGG C01826 CH$LINK: NIKKAJI J9.213D CH$LINK: PUBCHEM 4949
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$CHROMATOGRAPHY: RETENTION_INDEX 1233.3 AC$CHROMATOGRAPHY: RETENTION_TIME 294.001 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C17H43NO2Si4 MS$FOCUSED_ION: DERIVATIVE_MASS 405.23709 MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00dl-8900000000-d938851c18aaa72fa65d PK$NUM_PEAK: 84 PK$PEAK: m/z int. rel.int. 60 23 23 61 19 19 62 2 2 63 1 1 66 16 16 67 2 2 69 1 1 70 18 18 71 7 7 72 43 43 73 999 999 74 103 103 75 81 81 76 7 7 77 15 15 78 1 1 80 2 2 81 7 7 82 6 6 83 3 3 84 5 5 85 7 7 86 12 12 87 6 6 88 3 3 89 2 2 94 3 3 95 1 1 96 1 1 97 1 1 98 6 6 99 5 5 100 68 68 101 14 14 102 21 21 103 26 26 104 3 3 105 5 5 110 1 1 112 3 3 113 2 2 114 17 17 115 19 19 116 6 6 117 13 13 118 3 3 119 4 4 126 1 1 128 19 19 129 7 7 130 8 8 131 13 13 132 11 11 133 25 25 134 5 5 135 2 2 142 3 3 143 2 2 144 811 811 145 128 128 146 45 45 147 111 111 148 18 18 149 10 10 150 1 1 156 15 15 157 3 3 158 4 4 159 2 2 160 1 1 163 1 1 172 2 2 174 3 3 175 1 1 202 3 3 203 1 1 204 1 1 218 67 67 219 19 19 220 8 8 221 1 1 246 13 13 247 2 2 248 1 1 //