ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004226
RECORD_TITLE: TETRABROMOPHTHALIC ACID DIMETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: TETRABROMOPHTHALIC ACID DIMETHYL ESTER
CH$NAME: 3,4,5,6-TETRABROMO-1,2-BENZENEDICARBOXYLICACID DIMETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₆Br₄O₄
CH$EXACT_MASS: 505.69996
CH$SMILES: COC(=O)c(c(Br)1)c(C(=O)OC)c(Br)c(Br)c(Br)1
CH$IUPAC: InChI=1S/C10H6Br4O4/c1-17-9(15)3-4(10(16)18-2)6(12)8(14)7(13)5(3)11/h1-2H3
CH$LINK: INCHIKEY GNBQLLNMXUOVRU-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-004i-0000920000-b97057b982255fcf35c1
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  71 1 10
  72 4.3 43
  79 2.1 21
  85 0.1 1
  95 2.1 21
  151 3.2 32
  153 3.2 32
  168 0.32 3
  230 1 10
  232 7.6 76
  233 1 10
  234 0.1 1
  262 2.1 21
  311 1 10
  313 1 10
  339 0.43 4
  341 5.4 54
  355 1 10
  419 1 10
  433 0.1 1
  435 3.2 32
  475 14.2 142
  477 68.1 681
  478 0.54 5
  479 99.99 999
  480 8.7 87
  481 64.8 648
  482 0.65 7
  483 14.2 142
  506 3.2 32
  507 1 10
  508 1.97 20
  510 31.8 318
  511 2.1 21
  512 21.9 219
  514 3.2 32
//