ACCESSION: MSBNK-RIKEN-PR010081
RECORD_TITLE: 1-Amino-1-cyclopentanecarboxylic 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$NAME: 1-Amino-1-cyclopentanecarboxylic acid
CH$NAME: 1-Aminocyclopentanecarboxylate
CH$NAME: 1-Aminocyclopentanecarboxylic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₁NO₂
CH$EXACT_MASS: 129.07898
CH$SMILES: OC(=O)C(N)(C1)CCC1
CH$IUPAC: InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)
CH$LINK: CAS 52-52-8
CH$LINK: KEGG C03969
CH$LINK: NIKKAJI J4.131I
CH$LINK: PUBCHEM 6689
CH$LINK: INCHIKEY NILQLFBWTXNUOE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5024475

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$CHROMATOGRAPHY: RETENTION_INDEX 1365.8
AC$CHROMATOGRAPHY: RETENTION_TIME 333.172 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C12H27NO2Si2
MS$FOCUSED_ION: DERIVATIVE_MASS 273.15803
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0ab9-8900000000-281b59b0ef8c6d49ce2d
PK$NUM_PEAK: 112
PK$PEAK: m/z int. rel.int.
  60 20 20
  61 19 19
  62 2 2
  63 1 1
  65 8 8
  66 19 19
  67 32 32
  68 1 1
  69 2 2
  70 12 12
  71 10 10
  72 26 26
  73 999 999
  74 113 113
  75 95 95
  76 10 10
  77 13 13
  78 1 1
  79 3 3
  80 7 7
  81 4 4
  82 29 29
  83 10 10
  84 75 75
  85 15 15
  86 11 11
  87 6 6
  88 2 2
  89 2 2
  90 2 2
  91 1 1
  92 1 1
  93 2 2
  94 8 8
  95 9 9
  96 5 5
  97 5 5
  98 16 16
  99 8 8
  100 20 20
  101 7 7
  102 3 3
  103 8 8
  104 1 1
  105 2 2
  106 1 1
  107 1 1
  108 2 2
  109 1 1
  110 6 6
  111 3 3
  112 11 11
  113 5 5
  114 10 10
  115 6 6
  116 3 3
  117 9 9
  118 2 2
  119 3 3
  123 1 1
  124 5 5
  125 3 3
  126 22 22
  127 5 5
  128 6 6
  129 3 3
  130 3 3
  131 14 14
  132 8 8
  133 28 28
  134 5 5
  135 2 2
  138 4 4
  139 1 1
  140 32 32
  141 8 8
  142 3 3
  143 2 2
  144 1 1
  146 6 6
  147 94 94
  148 16 16
  149 10 10
  150 2 2
  152 1 1
  154 17 17
  155 7 7
  156 972 972
  157 147 147
  158 46 46
  159 10 10
  160 1 1
  168 45 45
  169 11 11
  170 3 3
  172 1 1
  174 2 2
  175 1 1
  182 1 1
  184 1 1
  186 1 1
  200 1 1
  202 1 1
  214 5 5
  215 1 1
  216 1 1
  230 56 56
  231 16 16
  232 7 7
  233 1 1
  258 6 6
  259 1 1
//