MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007761

2,4,5-TRIMETHYLOXAZOLE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007761
RECORD_TITLE: 2,4,5-TRIMETHYLOXAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

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CH$NAME: 2,4,5-TRIMETHYLOXAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₉NO
CH$EXACT_MASS: 111.06841
CH$SMILES: Cc(n1)oc(C)c(C)1
CH$IUPAC: InChI=1S/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H3
CH$LINK: CAS 20662-84-4
CH$LINK: INCHIKEY ZRLDBDZSLLGDOX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0022274

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-07bf-9200000000-5af4aca2a8967058030b
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  27 5.72 57
  41 13.28 133
  42 82.46 825
  43 99.99 999
  44 1.77 18
  54 4.38 44
  55 97.22 972
  56 2.12 21
  68 73.89 739
  69 24.33 243
  70 61.43 614
  82 42.68 427
  83 5.56 56
  96 12.75 128
  110 26.83 268
  111 94.79 948
  112 22.24 222
//