ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006369
RECORD_TITLE: (S)-2,3,7,7A-TETRAHYDRO-4,7A-DIMETHYL-1H-INDENE-1,5(6H)-DIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (S)-2,3,7,7A-TETRAHYDRO-4,7A-DIMETHYL-1H-INDENE-1,5(6H)-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₂
CH$EXACT_MASS: 178.09938
CH$SMILES: O=C(C2)C(C)=C(C1)C(C)(C2)C(=O)C1
CH$IUPAC: InChI=1S/C11H14O2/c1-7-8-3-4-10(13)11(8,2)6-5-9(7)12/h3-6H2,1-2H3/t11-/m0/s1
CH$LINK: INCHIKEY NERGSGSEJNCZBN-NSHDSACASA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-000i-9300000000-0388f42f2ff4acc95ee5
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  31 16.02 160
  32 88.79 888
  38 15.3 153
  39 71.72 717
  40 17.61 176
  41 20.05 201
  42 56.61 566
  44 8.84 88
  45 10.06 101
  47 5.61 56
  50 9.45 95
  51 12.07 121
  53 10.54 105
  54 9.93 99
  55 16.27 163
  56 17.43 174
  57 32.6 326
  58 88.79 888
  59 25.17 252
  63 9.81 98
  65 20.11 201
  67 11.88 119
  69 10.91 109
  70 10.85 109
  73 5.36 54
  77 38.82 388
  78 5.24 52
  79 39.55 396
  80 21.27 213
  82 7.37 74
  83 9.45 95
  84 0.64 6
  91 32.85 329
  93 41.01 410
  96 6.46 65
  105 7.13 71
  107 14.81 148
  120 7.37 74
  121 45.16 452
  122 1.67 17
  135 41.26 413
  136 99.99 999
  137 12.74 127
  150 8.17 82
  158 5.3 53
  162 5.48 55
  178 52.22 522
  179 9.81 98
  181 5.18 52
//