ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000323
RECORD_TITLE: 1-INDANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 1-INDANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H8O
CH$EXACT_MASS: 132.05751
CH$SMILES: O=C(C1)c(c2)c(ccc2)C1
CH$IUPAC: InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
CH$LINK: INCHIKEY QNXSIUBBGPHDDE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1058892
AC$INSTRUMENT: ESCO EMD-05A
AC$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$SPLASH: splash10-0f89-5900000000-8ec8888fed124089d446
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  38 1.6 16
  39 6.2 62
  43 4.1 41
  50 1.37 14
  51 25.6 256
  52 3.6 36
  61 1 10
  62 0.29 3
  63 8.3 83
  64 1 10
  74 7.4 74
  75 0.48 5
  76 14 140
  77 24.3 243
  78 24.4 244
  79 0.1 1
  89 2.8 28
  102 8.9 89
  103 44.3 443
  104 8.41 84
  105 11.1 111
  131 28.1 281
  132 99.99 999
  133 10.3 103
//
