ACCESSION: MSBNK-RIKEN-PR010064
RECORD_TITLE: L-Norleucine; GC-EI-TOF; MS; 2 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$NAME: L-Norleucine
CH$NAME: L-Aminohexanoate
CH$NAME: L-2-Aminohexanoate
CH$NAME: L-Aminohexanoic acid
CH$NAME: L-2-Aminohexanoic acid
CH$NAME: (S)-2-Aminohexanoic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₃NO₂
CH$EXACT_MASS: 131.09463
CH$SMILES: CCCC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
CH$LINK: CAS 327-57-1
CH$LINK: CHEBI 21203
CH$LINK: KEGG C01933
CH$LINK: NIKKAJI J9.189H
CH$LINK: PUBCHEM 5038
CH$LINK: INCHIKEY LRQKBLKVPFOOQJ-YFKPBYRVSA-N
CH$LINK: COMPTOX DTXSID70883362

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$CHROMATOGRAPHY: RETENTION_INDEX 1312.2
AC$CHROMATOGRAPHY: RETENTION_TIME 319.278 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C12H29NO2Si2
MS$FOCUSED_ION: DERIVATIVE_MASS 275.17368
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-05fr-8900000000-3cf84aa3585ea0262b9a
PK$NUM_PEAK: 92
PK$PEAK: m/z int. rel.int.
  60 24 24
  61 18 18
  62 2 2
  63 1 1
  65 1 1
  66 9 9
  67 4 4
  69 5 5
  70 11 11
  71 7 7
  72 20 20
  73 999 999
  74 100 100
  75 84 84
  76 8 8
  77 14 14
  78 1 1
  79 4 4
  80 2 2
  81 3 3
  82 4 4
  83 2 2
  84 12 12
  85 8 8
  86 38 38
  87 7 7
  88 3 3
  89 2 2
  94 1 1
  95 1 1
  96 3 3
  97 2 2
  98 8 8
  99 3 3
  100 72 72
  101 14 14
  102 33 33
  103 22 22
  104 3 3
  105 4 4
  110 1 1
  112 3 3
  113 2 2
  114 25 25
  115 22 22
  116 6 6
  117 13 13
  118 3 3
  119 4 4
  126 1 1
  128 20 20
  129 7 7
  130 14 14
  131 15 15
  132 14 14
  133 29 29
  134 5 5
  135 2 2
  142 7 7
  143 3 3
  144 2 2
  146 3 3
  147 100 100
  148 16 16
  149 9 9
  150 1 1
  156 3 3
  157 1 1
  158 859 859
  159 134 134
  160 41 41
  161 4 4
  163 1 1
  170 11 11
  171 2 2
  172 1 1
  174 3 3
  175 1 1
  186 2 2
  188 1 1
  202 1 1
  203 1 1
  216 1 1
  218 27 27
  219 6 6
  220 2 2
  232 34 34
  233 11 11
  234 4 4
  260 11 11
  261 2 2
  262 1 1
//