ACCESSION: MSBNK-Kazusa-KZ000169
RECORD_TITLE: 1-Aminocyclopropane-1-carboxylic acid; GC-EI-TOF; MS; 2 TMS; BP:147
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, 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
//