MassBank Record: PR010007



 1-Aminocyclopropane-1-carboxylic acid; GC-EI-TOF; MS; 2 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010007
RECORD_TITLE: 1-Aminocyclopropane-1-carboxylic acid; GC-EI-TOF; MS; 2 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$NAME: 1-Aminocyclopropane-1-carboxylic acid CH$NAME: 1-Aminocyclopropane-1-carboxylate 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$LINK: CHEBI 30526 CH$LINK: KEGG C01234 CH$LINK: NIKKAJI J83.133F CH$LINK: PUBCHEM 4455
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$CHROMATOGRAPHY: RETENTION_INDEX 1202.8 AC$CHROMATOGRAPHY: RETENTION_TIME 284.101 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C10H23NO2Si2 MS$FOCUSED_ION: DERIVATIVE_MASS 245.12673 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9720000000-bc94d2ac28653eae38a4 PK$NUM_PEAK: 95 PK$PEAK: m/z int. rel.int. 60 15 15 61 17 17 62 1 1 63 1 1 66 26 26 67 3 3 69 1 1 70 15 15 71 9 9 72 45 45 73 999 999 74 104 104 75 91 91 76 8 8 77 22 22 78 1 1 82 2 2 83 24 24 84 22 22 85 17 17 86 15 15 87 7 7 88 2 2 89 1 1 94 3 3 96 3 3 97 2 2 98 22 22 99 7 7 100 32 32 101 6 6 102 5 5 103 8 8 104 1 1 105 2 2 110 3 3 111 1 1 112 39 39 113 11 11 114 12 12 115 8 8 116 6 6 117 10 10 118 2 2 119 3 3 126 14 14 127 28 28 128 233 233 129 30 30 130 13 13 131 27 27 132 21 21 133 41 41 134 7 7 135 3 3 140 2 2 142 1 1 143 1 1 144 2 2 146 5 5 147 533 533 148 88 88 149 45 45 150 4 4 151 1 1 156 2 2 157 2 2 158 7 7 159 2 2 160 1 1 172 5 5 173 4 4 174 9 9 175 5 5 176 1 1 186 17 17 187 3 3 188 4 4 189 1 1 190 7 7 191 1 1 202 186 186 203 43 43 204 17 17 205 2 2 214 1 1 216 7 7 217 6 6 218 1 1 230 47 47 231 11 11 232 4 4 245 25 25 246 5 5 247 2 2 //