ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000460
RECORD_TITLE: 3,5-DIMETHYLISOXAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 3,5-DIMETHYLISOXAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₇NO
CH$EXACT_MASS: 97.05276
CH$SMILES: Cc(n1)cc(C)o1
CH$IUPAC: InChI=1S/C5H7NO/c1-4-3-5(2)7-6-4/h3H,1-2H3
CH$LINK: INCHIKEY FICAQKBMCKEFDI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6059784

AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000x-9000000000-1d1d0a93bc42a51e96fa
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  26 11.5 115
  27 28.6 286
  29 5.2 52
  30 0.38 4
  37 3.6 36
  38 8 80
  39 27.8 278
  40 0.91 9
  41 14.8 148
  42 19.9 199
  43 72.5 725
  50 0.3 3
  51 6.3 63
  52 8.8 88
  53 4.7 47
  54 7.15 72
  55 29.7 297
  56 2.2 22
  62 2.5 25
  63 0.47 5
  65 3.6 36
  66 2.5 25
  67 2.5 25
  68 0.36 4
  81 2.7 27
  82 99.99 999
  83 5 50
  97 8 80
  98 5.2 52
  99 1.9 19
//