MassBank Record: PR010218



 6-Aminohexanoic acid; GC-EI-TOF; MS; 3 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010218
RECORD_TITLE: 6-Aminohexanoic acid; GC-EI-TOF; MS; 3 TMS; BP:73
DATE: 2016.01.19 (2006.12.21, 2011.05.06)
AUTHORS: Kusano MPlant Science Center, RIKEN., Fukushima APlant Science Center, RIKEN., 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
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 //