ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009803
RECORD_TITLE: 4-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$NAME: 4-CHLORO-3-HYDROXY-3-METHYLBUTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H13ClO3
CH$EXACT_MASS: 180.05532
CH$SMILES: CC(=O)OCCC(C)(O)CCl
CH$IUPAC: InChI=1S/C7H13ClO3/c1-6(9)11-4-3-7(2,10)5-8/h10H,3-5H2,1-2H3
CH$LINK: INCHIKEY CXGRFFKXRMWAOS-UHFFFAOYSA-N
AC$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: splash10-0006-9000000000-a6d5b5ad832148de0527
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  27 4.7 47
  28 6.9 69
  29 8.5 85
  31 0.32 3
  39 3 30
  41 4.5 45
  42 3.2 32
  43 99.99 999
  44 4 40
  45 8.5 85
  53 1.4 14
  55 0.38 4
  56 1.7 17
  57 6.4 64
  58 2.3 23
  61 1.3 13
  67 1.4 14
  69 2.2 22
  70 4.5 45
  71 5.04 50
  72 2.9 29
  73 5.8 58
  77 1.8 18
  84 0.14 1
  87 2.7 27
  88 13.3 133
  89 7.1 71
  92 0.12 1
  93 11 110
  95 3.6 36
  103 1.3 13
  105 0.81 8
  107 2.5 25
//
