ACCESSION: MSBNK-RIKEN-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
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$CHROMATOGRAPHY: RETENTION_INDEX 1202.8
AC$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
//