MassBank Record: PR010123



 (S)-1-Aminoethylphosphonic acid; GC-EI-TOF; MS; 3 TMS; BP:116 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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$LINK: CAS 66068-76-6
AC$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 //