ACCESSION: MSBNK-RIKEN-PR010123
RECORD_TITLE: (S)-1-Aminoethylphosphonic acid; GC-EI-TOF; MS; 3 TMS; BP:116
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$NAME: (S)-1-Aminoethylphosphonic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₂H₈NO₃P
CH$EXACT_MASS: 125.02418
CH$SMILES: CC(N)P(O)(O)=O
CH$IUPAC: InChI=1S/C2H8NO3P/c1-2(3)7(4,5)6/h2H,3H2,1H3,(H2,4,5,6)/t2-/m0/s1
CH$LINK: CAS 66068-76-6
CH$LINK: INCHIKEY UIQSKEDQPSEGAU-REOHCLBHSA-N

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$CHROMATOGRAPHY: RETENTION_INDEX 1454.2
AC$CHROMATOGRAPHY: RETENTION_TIME 352.84 sec

MS$FOCUSED_ION: BASE_PEAK 116
MS$FOCUSED_ION: DERIVATIVE_FORM C11H32NO3PSi3
MS$FOCUSED_ION: DERIVATIVE_MASS 341.14276
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-01b9-6910000000-e600e51effe6ef31e67e
PK$NUM_PEAK: 106
PK$PEAK: m/z int. rel.int.
  60 21 21
  61 33 33
  62 2 2
  63 3 3
  66 3 3
  67 1 1
  69 1 1
  70 16 16
  71 7 7
  72 23 23
  73 827 827
  74 68 68
  75 47 47
  76 4 4
  77 47 47
  78 4 4
  79 14 14
  80 1 1
  82 1 1
  83 2 2
  84 5 5
  85 2 2
  86 14 14
  87 4 4
  88 1 1
  89 3 3
  90 1 1
  91 5 5
  92 1 1
  93 1 1
  96 2 2
  98 3 3
  99 2 2
  100 99 99
  101 14 14
  102 7 7
  103 9 9
  104 2 2
  105 7 7
  106 1 1
  107 4 4
  113 1 1
  114 19 19
  115 34 34
  116 999 999
  117 109 109
  118 38 38
  119 10 10
  120 2 2
  121 34 34
  122 3 3
  123 2 2
  130 1 1
  131 14 14
  132 4 4
  133 47 47
  134 7 7
  135 62 62
  136 7 7
  137 5 5
  147 62 62
  148 10 10
  149 10 10
  150 1 1
  151 7 7
  152 1 1
  164 2 2
  165 2 2
  174 1 1
  177 4 4
  178 1 1
  179 2 2
  181 2 2
  190 3 3
  191 5 5
  192 1 1
  193 2 2
  194 1 1
  195 44 44
  196 7 7
  197 5 5
  207 58 58
  208 12 12
  209 11 11
  210 5 5
  211 24 24
  212 4 4
  213 1 1
  221 1 1
  223 1 1
  225 7 7
  226 3 3
  227 3 3
  283 20 20
  284 7 7
  285 3 3
  297 2 2
  298 133 133
  299 36 36
  300 19 19
  301 3 3
  326 6 6
  327 1 1
  328 1 1
  341 5 5
  342 1 1
//