ACCESSION: MSBNK-RIKEN-PR010218
RECORD_TITLE: 6-Aminohexanoic acid; GC-EI-TOF; MS; 3 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$NAME: epsilon-Amino-n-caproic acid
CH$NAME: Epsilcapramine
CH$NAME: 6-Aminohexanoate
CH$NAME: 6-Aminohexanoic acid
CH$NAME: 6-Aminocaproic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₃NO₂
CH$EXACT_MASS: 131.09463
CH$SMILES: NCCCCCC(O)=O
CH$IUPAC: InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
CH$LINK: CAS 60-32-2
CH$LINK: CHEBI 32396
CH$LINK: KEGG C02378
CH$LINK: NIKKAJI J1.398F
CH$LINK: PUBCHEM 5420
CH$LINK: INCHIKEY SLXKOJJOQWFEFD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0020070

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$CHROMATOGRAPHY: RETENTION_INDEX 1723
AC$CHROMATOGRAPHY: RETENTION_TIME 456.863 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C15H37NO2Si3
MS$FOCUSED_ION: DERIVATIVE_MASS 347.21321
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9700000000-96516a7056d0134fe91f
PK$NUM_PEAK: 123
PK$PEAK: m/z int. rel.int.
  60 25 25
  61 30 30
  62 2 2
  63 2 2
  65 2 2
  66 4 4
  67 18 18
  68 1 1
  69 26 26
  70 15 15
  71 11 11
  72 29 29
  73 999 999
  74 106 106
  75 233 233
  76 23 23
  77 27 27
  78 2 2
  79 25 25
  80 2 2
  81 3 3
  82 3 3
  83 4 4
  84 6 6
  85 19 19
  86 221 221
  87 27 27
  88 14 14
  89 5 5
  90 1 1
  92 1 1
  93 1 1
  94 5 5
  95 4 4
  96 224 224
  97 21 21
  98 7 7
  99 13 13
  100 119 119
  101 23 23
  102 29 29
  103 9 9
  104 2 2
  105 2 2
  110 2 2
  111 2 2
  112 8 8
  113 9 9
  114 9 9
  115 11 11
  116 17 17
  117 24 24
  118 5 5
  119 5 5
  120 1 1
  122 1 1
  124 1 1
  125 1 1
  126 6 6
  127 2 2
  128 6 6
  129 68 68
  130 52 52
  131 39 39
  132 12 12
  133 35 35
  134 5 5
  135 3 3
  138 1 1
  140 15 15
  141 4 4
  142 6 6
  143 4 4
  144 6 6
  145 2 2
  146 20 20
  147 103 103
  148 18 18
  149 14 14
  150 2 2
  151 1 1
  152 1 1
  154 1 1
  156 2 2
  157 2 2
  158 8 8
  159 4 4
  160 3 3
  161 1 1
  162 3 3
  163 1 1
  168 13 13
  169 3 3
  170 11 11
  171 7 7
  172 13 13
  173 4 4
  174 763 763
  175 145 145
  176 71 71
  177 9 9
  178 1 1
  184 6 6
  185 1 1
  186 2 2
  188 1 1
  190 1 1
  200 6 6
  201 1 1
  202 1 1
  214 1 1
  216 1 1
  221 1 1
  242 12 12
  243 3 3
  244 1 1
  258 2 2
  274 1 1
  331 1 1
  332 22 22
  333 7 7
  334 3 3
  347 1 1
//