ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001415
RECORD_TITLE: AFLATOXIN G2; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: AFLATOXIN G2
CH$NAME: 3,4,7AALPHA,9,10,10AALPHA-HEXAHYDRO-5-METHOXY-1H
CH$NAME: 12H-FURO(3',2':4,5)FURO(2,3-H)PYRANO(3,4-C)(1)BENZOPYRAN-1,12-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₄O₇
CH$EXACT_MASS: 330.07395
CH$SMILES: COc(c3)c(C5=4)c(OC(=O)C(C(=O)OCC5)4)c(c31)C([H])(C2)C([H])(OC2)O1
CH$IUPAC: InChI=1S/C17H14O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1
CH$LINK: INCHIKEY WPCVRWVBBXIRMA-WNWIJWBNSA-N
CH$LINK: COMPTOX DTXSID80891796

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001i-0059000000-b9b2d2c3f3d2a225a3cd
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  187 1.8 18
  199 1.1 11
  201 3.4 34
  213 0.16 2
  214 1.1 11
  215 5.4 54
  216 1.6 16
  227 0.24 2
  229 5.1 51
  230 2.5 25
  241 2.9 29
  243 1.07 11
  244 2.4 24
  257 5.2 52
  258 5.7 57
  259 0.23 2
  269 5.6 56
  271 4.7 47
  272 8.3 83
  273 0.23 2
  283 1.6 16
  285 3.6 36
  286 18.8 188
  287 1.95 20
  288 4.2 42
  299 2.7 27
  300 2.1 21
  301 0.78 8
  302 2.5 25
  314 2.5 25
  315 2.6 26
  328 0.29 3
  329 2.1 21
  330 99.99 999
  331 19 190
  332 5.7 57
//