ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004578
RECORD_TITLE: 2-(N-BENZYLOXYCARBONYL-N-METHYLAMINO)ETHYLPHOSPHONIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2-(N-BENZYLOXYCARBONYL-N-METHYLAMINO)ETHYLPHOSPHONIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16NO5P
CH$EXACT_MASS: 273.07661
CH$SMILES: O=C(OCc(c1)cccc1)N(C)CCP(O)(O)=O
CH$IUPAC: InChI=1S/C11H16NO5P/c1-12(7-8-18(14,15)16)11(13)17-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,14,15,16)
CH$LINK: INCHIKEY KNNQEYPDIAAUJQ-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-HX-100
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9300000000-cefee5aafe817b384778
PK$NUM_PEAK: 104
PK$PEAK: m/z int. rel.int.
  36 2.73 27
  38 0.87 9
  39 5.47 55
  40 1.85 19
  41 6.24 62
  42 3.76 38
  43 5.39 54
  44 19.55 196
  45 2.21 22
  46 0.32 3
  47 0.39 4
  50 1.64 16
  51 4.09 41
  52 1.33 13
  53 1.07 11
  54 0.87 9
  55 4.22 42
  56 3.38 34
  57 12.25 123
  58 1.6 16
  59 0.37 4
  60 2.07 21
  61 1.31 13
  62 0.78 8
  63 2.91 29
  64 0.92 9
  65 11.61 116
  66 0.91 9
  67 1.52 15
  68 1.23 12
  69 5.2 52
  70 1.46 15
  71 3.04 30
  73 2.32 23
  74 0.53 5
  76 0.49 5
  77 5.71 57
  78 1.73 17
  79 7.31 73
  80 1.3 13
  81 4.94 49
  82 1.48 15
  83 2.62 26
  84 1.16 12
  85 1.67 17
  86 0.35 4
  87 0.74 7
  89 3.52 35
  90 3.16 32
  91 99.99 999
  92 9.69 97
  93 1 10
  94 1.43 14
  95 1.98 20
  96 0.93 9
  97 1.57 16
  98 1.21 12
  99 0.39 4
  101 0.53 5
  102 0.51 5
  104 2.27 23
  105 1.26 13
  106 0.57 6
  107 5.56 56
  108 9.07 91
  109 6.99 70
  110 0.74 7
  111 0.9 9
  112 0.31 3
  115 0.51 5
  116 0.31 3
  117 0.16 2
  118 1.56 16
  119 0.5 5
  120 4.11 41
  121 0.71 7
  122 0.89 9
  123 0.64 6
  125 0.53 5
  129 1 10
  134 0.81 8
  135 0.31 3
  136 0.16 2
  137 0.56 6
  138 41.69 417
  139 7.98 80
  140 0.78 8
  143 0.15 2
  146 0.73 7
  149 0.69 7
  152 0.91 9
  165 0.34 3
  166 13.64 136
  167 1 10
  185 0.49 5
  193 0.48 5
  213 0.32 3
  228 4.24 42
  229 0.83 8
  236 0.69 7
  256 0.36 4
  264 0.16 2
  273 7.79 78
  274 1.18 12
//
