ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010238
RECORD_TITLE: DIMETHYL TRANS-2,3,4,5,6,7-HEXAHYDROINDEN-1(H)-ONE-5,6-DICARBOXYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KANEMASA S, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: DIMETHYL TRANS-2,3,4,5,6,7-HEXAHYDROINDEN-1(H)-ONE-5,6-DICARBOXYLATE
CH$NAME: DIMETHYL (5R,6R)-2,3,4,5,6,7-HEXAHYDROINDEN-1(H)-ONE-5,6-DICARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₆O₅
CH$EXACT_MASS: 252.09977
CH$SMILES: COC(=O)C([H])(C1)C([H])(C(=O)OC)CC(C(=O)2)=C(CC2)1
CH$IUPAC: InChI=1S/C13H16O5/c1-17-12(15)9-5-7-3-4-11(14)8(7)6-10(9)13(16)18-2/h9-10H,3-6H2,1-2H3/t9-,10-/m1/s1
CH$LINK: INCHIKEY RPLFDITWLLPMSI-NXEZZACHSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-053u-4910000000-84873a43b3adb048430e
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  39 6.97 70
  51 5.85 59
  52 5.02 50
  55 4.74 47
  59 19.64 196
  65 7.51 75
  77 14.83 148
  78 11.85 119
  79 10.44 104
  91 43.12 431
  92 6.02 60
  103 8.13 81
  104 6.82 68
  105 44.66 447
  106 5.16 52
  132 7.14 71
  133 99.99 999
  134 13.84 138
  135 3.75 38
  136 1.16 12
  148 2.24 22
  150 3.51 35
  151 1.3 13
  159 1.17 12
  160 1.07 11
  161 5.26 53
  163 1.14 11
  177 2.87 29
  191 2.46 25
  192 41.51 415
  193 26.32 263
  194 3.94 39
  220 27.88 279
  221 17.16 172
  222 2.22 22
  252 5.03 50
  253 1.2 12
//