ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004105
RECORD_TITLE: 4-(PARA-HYDROXYPHENYL)2-BUTANONE; 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$NAME: 4-(PARA-HYDROXYPHENYL)2-BUTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₂
CH$EXACT_MASS: 164.08373
CH$SMILES: CC(=O)CCc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3
CH$LINK: INCHIKEY NJGBTKGETPDVIK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5044495

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$SPLASH: splash10-0a4i-5900000000-e86a807414e04733339d
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  15 3.1 31
  27 6.3 63
  28 3.5 35
  38 1.3 13
  39 11.6 116
  40 1.6 16
  41 2.5 25
  43 6.88 69
  44 1.7 17
  50 1.9 19
  51 5.9 59
  52 0.24 2
  53 4 40
  55 6.4 64
  63 2.6 26
  65 0.59 6
  66 1.5 15
  77 15.2 152
  78 2.8 28
  79 0.16 2
  91 6.1 61
  93 2.1 21
  94 15 150
  103 0.57 6
  107 99.99 999
  108 8.1 81
  119 1.5 15
  120 0.26 3
  121 13.5 135
  122 1.3 13
  149 5.7 57
  163 0.09 1
  164 36 360
  165 3.8 38
//