MassBank Record: JP011915



 T2 TOXIN; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP011915
RECORD_TITLE: T2 TOXIN; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: YAMAMOTO MDEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV., 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 //

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