ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010033
RECORD_TITLE: 4-CHLOROMETHYL-3,5-DIMETHYLISOXAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 4-CHLOROMETHYL-3,5-DIMETHYLISOXAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H8ClNO
CH$EXACT_MASS: 145.02944
CH$SMILES: ClCc(c(C)1)c(C)on1
CH$IUPAC: InChI=1S/C6H8ClNO/c1-4-6(3-7)5(2)9-8-4/h3H2,1-2H3
CH$LINK: COMPTOX DTXSID0066531
CH$LINK: INCHIKEY NIFAUKBQIAURIM-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:88246
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-03xr-9700000000-d3fee2664895f1ec591f
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  26 2.8 28
  27 2.8 28
  28 2.8 28
  38 0.16 2
  39 4.1 41
  40 1.7 17
  41 3.1 31
  42 1.26 13
  43 39.6 396
  49 1 10
  50 1.1 11
  51 0.26 3
  52 2.6 26
  53 2.2 22
  54 1.7 17
  61 0.1 1
  66 5.5 55
  67 2.8 28
  68 62.9 629
  69 0.58 6
  76 1.1 11
  110 99.99 999
  111 7.1 71
  145 1.81 18
  146 1.3 13
  147 5.8 58
//
