ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004095
RECORD_TITLE: ALPHA-(4-CHLOROPHENOXY)ISOBUTYLIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ALPHA-(4-CHLOROPHENOXY)ISOBUTYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H11ClO3
CH$EXACT_MASS: 214.03967
CH$SMILES: OC(=O)C(C)(C)Oc(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
CH$LINK: INCHIKEY TXCGAZHTZHNUAI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1040661
AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-004i-2900000000-2209f763ac56a9c1d08a
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  39 4.4 44
  41 8.9 89
  43 2.6 26
  45 1.7 17
  50 1.5 15
  59 1.7 17
  63 2.3 23
  64 0.18 2
  65 5.3 53
  69 2.6 26
  73 2.2 22
  75 0.41 4
  84.5 2.1 21
  93 1.4 14
  99 2.7 27
  100 0.18 2
  111 3.7 37
  128 99.99 999
  129 9.1 91
  130 3.25 33
  131 3 30
  169 4.8 48
  171 1.8 18
  214 0.8 8
  215 1.2 12
  216 2.6 26
//
