MassBank Record: KZ000169



 1-Aminocyclopropane-1-carboxylic acid; GC-EI-TOF; MS; 2 TMS; BP:147 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000169
RECORD_TITLE: 1-Aminocyclopropane-1-carboxylic acid; GC-EI-TOF; MS; 2 TMS; BP:147
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_01382_P000077

CH$NAME: 1-Aminocyclopropane-1-carboxylic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C4H7NO2 CH$EXACT_MASS: 101.04768 CH$SMILES: OC(=O)C(N)(C1)C1 CH$IUPAC: InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7) CH$LINK: CAS 22059-21-8 CH$LINK: KEGG C01234 CH$LINK: INCHIKEY PAJPWUMXBYXFCZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9039577
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 1260.0 AC$CHROMATOGRAPHY: RETENTION_TIME 536.213 sec
MS$FOCUSED_ION: BASE_PEAK 147 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0002-1910000000-836cd3fd9e3e118fac61 PK$NUM_PEAK: 104 PK$PEAK: m/z int. rel.int. 82 9 9 83 46 46 84 82 82 85 55 55 86 46 46 87 27 27 88 8 8 89 6 6 90 1 1 91 2 2 92 1 1 93 2 2 94 6 6 95 2 2 96 11 11 97 6 6 98 65 65 99 19 19 100 68 68 101 17 17 102 17 17 103 25 25 104 4 4 105 9 9 106 1 1 107 1 1 108 1 1 109 1 1 110 9 9 111 5 5 112 93 93 113 27 27 114 40 40 115 23 23 116 20 20 117 26 26 118 7 7 119 7 7 120 1 1 124 1 1 126 31 31 127 54 54 128 347 347 129 54 54 130 25 25 131 63 63 132 50 50 133 89 89 134 15 15 135 6 6 140 5 5 141 1 1 142 4 4 143 2 2 144 4 4 145 2 2 146 10 10 147 999 999 148 178 178 149 90 90 150 10 10 151 2 2 154 1 1 155 1 1 156 9 9 157 10 10 158 18 18 159 5 5 160 3 3 161 1 1 162 1 1 169 1 1 170 2 2 171 1 1 172 10 10 173 9 9 174 17 17 175 10 10 176 3 3 177 1 1 186 32 32 187 7 7 188 8 8 189 1 1 190 11 11 191 2 2 200 1 1 201 1 1 202 311 311 203 70 70 204 29 29 205 4 4 214 2 2 216 12 12 217 10 10 218 2 2 219 1 1 230 67 67 231 15 15 232 6 6 233 1 1 245 35 35 246 7 7 247 3 3 //

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