MassBank Record: KZ000085



 6-Aminohexanoic acid; GC-EI-TOF; MS; 3 TMS; BP:174 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000085
RECORD_TITLE: 6-Aminohexanoic acid; GC-EI-TOF; MS; 3 TMS; BP:174
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, 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 //

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