ACCESSION: MSBNK-Kazusa-KZ000085
RECORD_TITLE: 6-Aminohexanoic acid; GC-EI-TOF; MS; 3 TMS; BP:174
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_01718_P000033

CH$NAME: 6-Aminocaproic acid
CH$NAME: 6-Aminohexanoic 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$LINK: KEGG C02378
CH$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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 1737.1
AC$CHROMATOGRAPHY: RETENTION_TIME 808.562 sec

MS$FOCUSED_ION: BASE_PEAK 174
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00ds-3900000000-d2bae6c296c96fbad8d6
PK$NUM_PEAK: 133
PK$PEAK: m/z int. rel.int.
  82 7 7
  83 8 8
  84 18 18
  85 38 38
  86 500 500
  87 60 60
  88 30 30
  89 10 10
  90 2 2
  91 1 1
  92 1 1
  93 3 3
  94 12 12
  95 9 9
  96 481 481
  97 45 45
  98 16 16
  99 28 28
  100 266 266
  101 53 53
  102 62 62
  103 22 22
  104 5 5
  105 4 4
  106 1 1
  108 1 1
  109 1 1
  110 5 5
  111 4 4
  112 19 19
  113 19 19
  114 21 21
  115 25 25
  116 39 39
  117 52 52
  118 11 11
  119 12 12
  120 1 1
  121 1 1
  122 3 3
  123 1 1
  124 2 2
  125 3 3
  126 13 13
  127 4 4
  128 13 13
  129 134 134
  130 113 113
  131 86 86
  132 27 27
  133 79 79
  134 12 12
  135 7 7
  136 1 1
  138 3 3
  139 1 1
  140 34 34
  141 10 10
  142 15 15
  143 8 8
  144 13 13
  145 5 5
  146 46 46
  147 237 237
  148 42 42
  149 30 30
  150 4 4
  151 2 2
  152 4 4
  153 1 1
  154 3 3
  155 1 1
  156 4 4
  157 4 4
  158 14 14
  159 7 7
  160 6 6
  161 2 2
  162 4 4
  163 1 1
  166 1 1
  168 21 21
  169 5 5
  170 17 17
  171 11 11
  172 19 19
  173 5 5
  174 999 999
  175 194 194
  176 91 91
  177 11 11
  178 2 2
  182 1 1
  184 9 9
  185 2 2
  186 3 3
  187 1 1
  188 2 2
  189 1 1
  190 1 1
  198 1 1
  200 12 12
  201 3 3
  202 2 2
  204 1 1
  205 1 1
  212 2 2
  213 1 1
  214 2 2
  215 1 1
  216 3 3
  217 1 1
  218 1 1
  221 3 3
  230 1 1
  240 1 1
  242 27 27
  243 7 7
  244 4 4
  245 1 1
  246 2 2
  248 1 1
  258 6 6
  259 1 1
  260 1 1
  274 3 3
  275 1 1
  331 2 2
  332 47 47
  333 16 16
  334 7 7
  335 1 1
  347 1 1
//