ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002805
RECORD_TITLE: TRI-(2-BUTOXYETHYL)-PHOSPHATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: TRI-(2-BUTOXYETHYL)-PHOSPHATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₉O₇P
CH$EXACT_MASS: 398.24334
CH$SMILES: CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC
CH$IUPAC: InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3
CH$LINK: INCHIKEY WTLBZVNBAKMVDP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5021758

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4j-9410000000-f5feea9eb439b65c51e5
PK$NUM_PEAK: 150
PK$PEAK: m/z int. rel.int.
  30 3.4 34
  31 4.7 47
  35 1 10
  36 0.8 8
  37 0.9 9
  38 3.6 36
  39 6.7 67
  40 0.51 5
  41 59.5 595
  42 6.9 69
  43 12.3 123
  44 2.06 21
  45 96.3 963
  46 5.2 52
  47 1.4 14
  50 0.15 2
  51 1 10
  52 0.9 9
  53 1.7 17
  54 0.05 1
  55 23.2 232
  56 90.3 903
  57 99.99 999
  58 1.01 10
  59 4.7 47
  60 2.8 28
  61 1.6 16
  63 0.29 3
  65 3.5 35
  67 1.5 15
  68 1.5 15
  69 0.44 4
  70 3.6 36
  71 6.1 61
  72 3.7 37
  73 0.47 5
  75 1.9 19
  76 1 10
  77 3.7 37
  79 0.32 3
  80 0.8 8
  81 5.7 57
  82 5 50
  83 0.17 2
  84 2.3 23
  85 90.1 901
  86 7.4 74
  87 0.45 5
  89 1.8 18
  91 2.2 22
  92 0.6 6
  93 0.01 0
  94 1.3 13
  95 3.1 31
  96 1.5 15
  97 0.28 3
  98 3.3 33
  99 32 320
  100 43.4 434
  101 7.29 73
  102 5.9 59
  103 1.1 11
  104 0.6 6
  105 0.02 0
  107 3.7 37
  108 4.2 42
  109 2.9 29
  111 0.11 1
  112 5.7 57
  113 11.3 113
  115 0.9 9
  118 0.07 1
  119 1.5 15
  122 1.2 12
  123 4 40
  125 6.39 64
  126 5.2 52
  127 10.6 106
  128 1 10
  129 0.15 2
  131 1.3 13
  132 1.4 14
  133 1.1 11
  135 0.28 3
  138 3 30
  139 10.8 108
  140 3.1 31
  141 0.53 5
  143 10 100
  149 4.7 47
  150 1.6 16
  151 0.05 1
  152 5.1 51
  153 27 270
  154 13.7 137
  155 2.59 26
  156 2.8 28
  157 4.6 46
  161 0.7 7
  165 0.12 1
  167 2.8 28
  168 1.1 11
  169 5.3 53
  171 0.72 7
  173 0.6 6
  179 0.7 7
  180 2.6 26
  182 0.34 3
  183 3.7 37
  187 1 10
  197 3.8 38
  198 0.09 1
  199 45.7 457
  200 4.5 45
  201 0.7 7
  205 0.07 1
  209 2.5 25
  211 0.7 7
  213 5.3 53
  214 0.06 1
  225 10.9 109
  226 5.1 51
  227 17.7 177
  228 0.26 3
  230 0.7 7
  239 1.1 11
  243 5.2 52
  253 0.54 5
  254 2.1 21
  255 10 100
  256 3.9 39
  257 0.15 2
  261 0.7 7
  269 1.6 16
  271 3.5 35
  279 0.06 1
  298 0.6 6
  299 15.7 157
  300 4 40
  313 0.08 1
  315 4.4 44
  317 0.8 8
  331 0.7 7
  355 0.43 4
  385 0.7 7
  393 1.4 14
  394 0.7 7
  396 0.07 1
  399 0.9 9
  429 0.7 7
//