ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011915
RECORD_TITLE: T2 TOXIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: T2 TOXIN
CH$NAME: MYCOTOXIN T2
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₃₄O₉
CH$EXACT_MASS: 466.22028
CH$SMILES: O(C1)C1(C34[H])C(C(C4O)OC(C)=O)(C(C(O3)([H])2)(COC(C)=O)CC(OC(=O)CC(C)C)C(C)=C2)C
CH$IUPAC: InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3/t16-,17+,19+,20+,21+,22+,23+,24-/m0/s1
CH$LINK: CAS 21259-20-1
CH$LINK: INCHIKEY BXFOFFBJRFZBQZ-QYWOHJEZSA-N
CH$LINK: COMPTOX DTXSID6021298

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0596-7910000000-84a88b77277b1b533aba
PK$NUM_PEAK: 150
PK$PEAK: m/z int. rel.int.
  15 3.24 32
  27 3.25 33
  28 1.53 15
  29 8.45 85
  31 1.36 14
  39 3.92 39
  41 16.39 164
  43 99.99 999
  44 2.59 26
  45 1.24 12
  53 2.86 29
  56 5.63 56
  57 38.67 387
  58 1.78 18
  59 1.25 13
  60 2.18 22
  65 1.78 18
  67 3.04 30
  69 4.64 46
  71 2.52 25
  73 1.27 13
  77 5.13 51
  78 1.4 14
  79 5.03 50
  80 1.43 14
  81 2.82 28
  82 4.19 42
  83 4.48 45
  85 25.63 256
  86 1.42 14
  91 9.33 93
  92 2.98 30
  93 7.21 72
  94 2.62 26
  95 8.16 82
  96 4.22 42
  97 2.97 30
  100 1.51 15
  103 1.96 20
  104 3.93 39
  105 22.7 227
  106 4.02 40
  107 6.24 62
  108 4.24 42
  109 4.46 45
  110 1.38 14
  111 3.51 35
  112 1.83 18
  115 2.33 23
  116 1.3 13
  117 2.76 28
  118 4.76 48
  119 4.76 48
  120 8.55 86
  121 37.97 380
  122 19.44 194
  123 5.8 58
  124 15.23 152
  125 17.03 170
  126 2.55 26
  127 1.17 12
  128 2.35 24
  129 3.19 32
  130 1.68 17
  131 3.22 32
  132 1.25 13
  133 2.89 29
  134 2.53 25
  135 3.17 32
  136 1.61 16
  137 2.2 22
  138 8.45 85
  139 2.3 23
  141 3.14 31
  142 7.53 75
  143 4.79 48
  144 2.1 21
  145 6.29 63
  146 2.18 22
  147 4.5 45
  148 1.33 13
  149 1.57 16
  151 1.1 11
  155 1.49 15
  156 1.1 11
  157 6.09 61
  158 2.81 28
  159 6.51 65
  160 3.17 32
  161 4.57 46
  162 1.34 13
  163 1.97 20
  164 2.12 21
  167 2 20
  169 1.59 16
  171 3.65 37
  172 5.68 57
  173 8.21 82
  174 2.19 22
  175 4.68 47
  176 1.88 19
  177 1.47 15
  180 17.8 178
  181 2.96 30
  183 1.68 17
  184 2.21 22
  185 10.33 103
  186 5.82 58
  187 4.3 43
  188 2.42 24
  189 3.47 35
  190 1.12 11
  191 1.36 14
  197 1.65 17
  198 1.49 15
  199 1.87 19
  200 3.38 34
  201 4.57 46
  202 2.71 27
  203 5.25 53
  204 1.59 16
  205 7.34 73
  206 1.2 12
  213 3.18 32
  214 2.15 22
  215 3.7 37
  216 1.45 15
  218 3.73 37
  219 1.65 17
  226 1.4 14
  227 3.15 32
  231 4.15 42
  232 1.38 14
  233 2.1 21
  244 1.68 17
  245 3.23 32
  246 1.64 16
  261 2.1 21
  262 1.19 12
  263 1.04 10
  275 2.05 21
  276 1.42 14
  278 7.51 75
  279 1.36 14
  291 1.54 15
  304 2.81 28
  305 3.01 30
  364 9.08 91
  365 2.06 21
  382 2.23 22
//