ACCESSION: MSBNK-RIKEN-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
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$CHROMATOGRAPHY: RETENTION_INDEX 1233.3
AC$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
//