ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003951
RECORD_TITLE: CITRIC ACID-TETRA-TMS; 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$NAME: CITRIC ACID-TETRA-TMS
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₄₀O₇Si₄
CH$EXACT_MASS: 480.18511
CH$SMILES: C[Si](C)(C)OC(=O)CC(CC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C18H40O7Si4/c1-26(2,3)22-15(19)13-18(25-29(10,11)12,17(21)24-28(7,8)9)14-16(20)23-27(4,5)6/h13-14H2,1-12H3
CH$LINK: INCHIKEY VFGAVMGYDWDESE-UHFFFAOYSA-N

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-00fr-9221000000-1c32b301c33d4001e328
PK$NUM_PEAK: 141
PK$PEAK: m/z int. rel.int.
  57 1.8 18
  58 3.7 37
  59 12 120
  60 0.2 2
  61 3.1 31
  63 0.9 9
  65 0.7 7
  66 0.17 2
  67 3.2 32
  68 0.8 8
  69 2.9 29
  70 0.1 1
  71 1.5 15
  72 4.4 44
  73 72.2 722
  74 0.8 8
  75 99.99 999
  76 8.3 83
  77 5.3 53
  78 0.1 1
  79 0.7 7
  81 0.7 7
  82 0.6 6
  83 0.16 2
  84 1.9 19
  85 2.6 26
  87 1 10
  89 0.13 1
  90 0.6 6
  91 1.1 11
  92 0.7 7
  93 0.13 1
  94 0.6 6
  95 0.9 9
  96 0.8 8
  97 0.23 2
  98 0.9 9
  99 3.2 32
  100 0.9 9
  101 0.1 1
  102 0.6 6
  103 1.8 18
  104 0.7 7
  105 0.15 2
  108 1.1 11
  109 1 10
  110 0.6 6
  111 0.1 1
  112 0.6 6
  113 0.6 6
  114 0.8 8
  115 0.27 3
  116 1.5 15
  117 3 30
  118 0.8 8
  119 0.08 1
  123 0.6 6
  125 0.9 9
  127 1 10
  128 0.08 1
  129 3.2 32
  130 0.9 9
  131 1.8 18
  132 0.07 1
  133 4.7 47
  134 0.7 7
  135 1.7 17
  139 0.06 1
  141 1.1 11
  143 1.7 17
  145 1 10
  147 3.56 36
  148 4.8 48
  149 6.9 69
  150 0.9 9
  151 0.08 1
  156 0.8 8
  157 0.9 9
  159 0.7 7
  169 0.1 1
  171 1 10
  173 0.6 6
  183 2.4 24
  185 0.15 2
  187 0.8 8
  189 0.7 7
  190 1 10
  191 0.06 1
  201 1.6 16
  203 0.6 6
  204 1 10
  207 0.17 2
  211 3.9 39
  213 2.3 23
  215 1.3 13
  217 0.23 2
  218 1 10
  219 1.5 15
  220 1 10
  221 0.24 2
  222 0.6 6
  229 1.2 12
  231 3.3 33
  232 0.12 1
  233 0.7 7
  250 0.6 6
  257 2.3 23
  259 0.06 1
  263 0.06 1
  273 30.3 303
  274 6.5 65
  275 3.7 37
  277 0.13 1
  279 1.9 19
  285 1.1 11
  292 1.3 13
  294 0.26 3
  303 1.1 11
  305 2.7 27
  306 1.3 13
  307 0.37 4
  308 0.8 8
  309 8.7 87
  310 0.7 7
  319 0.09 1
  333 0.6 6
  346 2.6 26
  347 7.3 73
  348 0.16 2
  349 1.2 12
  362 1.6 16
  363 5.4 54
  364 0.19 2
  365 1 10
  374 0.8 8
  375 7 70
  376 0.22 2
  377 1.1 11
  465 3.4 34
  466 1.5 15
  467 0.9 9
//