ACCESSION: MSBNK-Kazusa-KZ000160
RECORD_TITLE: L-Norleucine; GC-EI-TOF; MS; 2 TMS; BP:158
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_05473_P000019

CH$NAME: L-Norleucine
CH$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: KEGG C01933
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 0.0000
AC$CHROMATOGRAPHY: RETENTION_TIME 592.662 sec

MS$FOCUSED_ION: BASE_PEAK 158
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0a4i-0900000000-363d31fc4a3b15b97b49
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  82 3 3
  83 2 2
  84 9 9
  85 7 7
  86 17 17
  87 5 5
  88 2 2
  89 1 1
  94 1 1
  96 3 3
  97 2 2
  98 8 8
  99 3 3
  100 60 60
  101 12 12
  102 29 29
  103 20 20
  104 3 3
  105 3 3
  110 1 1
  112 3 3
  113 2 2
  114 27 27
  115 19 19
  116 6 6
  117 12 12
  118 3 3
  119 4 4
  120 1 1
  126 1 1
  128 17 17
  129 7 7
  130 16 16
  131 16 16
  132 15 15
  133 29 29
  134 6 6
  135 2 2
  142 6 6
  143 3 3
  144 2 2
  146 3 3
  147 100 100
  148 17 17
  149 9 9
  150 1 1
  156 7 7
  157 2 2
  158 999 999
  159 162 162
  160 55 55
  161 6 6
  162 1 1
  163 1 1
  170 15 15
  171 3 3
  172 2 2
  174 4 4
  175 1 1
  176 1 1
  186 4 4
  187 1 1
  188 1 1
  202 3 3
  203 2 2
  204 1 1
  216 2 2
  218 27 27
  219 6 6
  220 2 2
  232 40 40
  233 12 12
  234 4 4
  260 10 10
  261 2 2
//