MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000324

2-INDANONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000324
RECORD_TITLE: 2-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

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CH$NAME: 2-INDANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₈O
CH$EXACT_MASS: 132.05751
CH$SMILES: O=C(C1)Cc(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2
CH$LINK: INCHIKEY UMJJFEIKYGFCAT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7052288

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0udi-5900000000-cf87874bc0aafaa63b25
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  39 9.9 99
  43 14 140
  50 7.8 78
  51 2.95 30
  52 11.8 118
  58 2.5 25
  63 6.7 67
  76 0.18 2
  77 15.3 153
  78 27.7 277
  102 5.2 52
  103 3.42 34
  104 99.99 999
  105 7.9 79
  132 50.5 505
  133 1.9 19
//