ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010240
RECORD_TITLE: DIMETHYL CIS-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$NAME: DIMETHYL CIS-2,3,4,5,6,7-HEXAHYDROINDEN-1(H)-ONE-5,6-DICARBOXYLATE
CH$NAME: DIMETHYL (5R,6S)-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-ZJUUUORDSA-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$SPLASH: splash10-001l-4920000000-f321da293257c2717d15
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  39 3.28 33
  40 3.67 37
  41 3.38 34
  43 14.78 148
  44 4.14 41
  51 3.61 36
  52 3.27 33
  55 3.68 37
  58 4.8 48
  59 8.18 82
  65 4.06 41
  77 11.6 116
  78 7.74 77
  79 7.87 79
  91 36.02 360
  92 5.51 55
  103 5.78 58
  104 5.41 54
  105 43.12 431
  106 4.51 45
  131 3 30
  132 9.27 93
  133 99.99 999
  134 12.87 129
  135 3.65 37
  161 3.83 38
  177 2.56 26
  192 22.65 227
  193 39.08 391
  194 6.07 61
  220 4.52 45
  221 22.7 227
  222 3.25 33
  252 37.59 376
  253 5.14 51
//