ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009804
RECORD_TITLE: 2-CHLORO-3-HYDROXY-3-METHYLBUTYL ACETATE; 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$NAME: 2-CHLORO-3-HYDROXY-3-METHYLBUTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H13ClO3
CH$EXACT_MASS: 180.05532
CH$SMILES: CC(=O)OCC(Cl)C(C)(C)O
CH$IUPAC: InChI=1S/C7H13ClO3/c1-5(9)11-4-6(8)7(2,3)10/h6,10H,4H2,1-3H3
CH$LINK: INCHIKEY GVGGNYJJOUJXTK-UHFFFAOYSA-N
AC$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: splash10-0a4l-9100000000-4224b92d11cc797ab7e8
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 3.1 31
  29 1.9 19
  31 7.8 78
  39 0.25 3
  41 6.6 66
  42 2.5 25
  43 99.99 999
  44 0.25 3
  55 3.3 33
  58 19.4 194
  59 90.5 905
  60 0.31 3
  61 3.1 31
  62 12.8 128
  64 4.4 44
  85 0.78 8
  86 3.9 39
  87 2.5 25
  90 6.9 69
  92 0.23 2
  101 5.3 53
  103 8.1 81
  105 18.3 183
  107 0.59 6
  120 2.7 27
  122 1.6 16
  123 1.6 16
//
