ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000459
RECORD_TITLE: 3,5-DIMETHYL-4-NITROISOXAZOLE; 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$NAME: 3,5-DIMETHYL-4-NITROISOXAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H6N2O3
CH$EXACT_MASS: 142.03784
CH$SMILES: Cc(n1)c([N+1]([O-1])=O)c(C)o1
CH$IUPAC: InChI=1S/C5H6N2O3/c1-3-5(7(8)9)4(2)10-6-3/h1-2H3
CH$LINK: INCHIKEY PMQFLWLYAXYFHG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70294010
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$SPLASH: splash10-0006-9000000000-e5880550852054c21fc1
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  26 6.1 61
  27 14.4 144
  29 4.8 48
  30 1.69 17
  31 1.5 15
  37 1.4 14
  38 5.4 54
  39 1.36 14
  40 11.3 113
  41 16.3 163
  42 34.8 348
  43 99.99 999
  45 2.3 23
  50 1.7 17
  51 3.6 36
  52 0.54 5
  53 4.8 48
  54 13.7 137
  55 2.6 26
  56 0.26 3
  57 2.6 26
  60 1.3 13
  62 1.8 18
  63 0.34 3
  64 1.2 12
  65 3.2 32
  66 2.5 25
  67 0.89 9
  68 1.4 14
  69 3.2 32
  70 2.5 25
  71 0.49 5
  80 4.6 46
  81 4 40
  82 1.7 17
  83 1.74 17
  84 1.8 18
  85 1.2 12
  95 2 20
  96 0.42 4
  142 19.4 194
  143 1.4 14
//
