ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010136
RECORD_TITLE: 5-(1-HYDROXY-2-METHYL-3-BUTENYL)-1,2,3-TRIMETHOXYBENZENE; 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$NAME: 5-(1-HYDROXY-2-METHYL-3-BUTENYL)-1,2,3-TRIMETHOXYBENZENE
CH$NAME: 2-METHYL-1-(3,4,5-TRIMETHOXYPHENYL)-3-BUTENE-1-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₀O₄
CH$EXACT_MASS: 252.13616
CH$SMILES: C=CC(C)C(O)c(c1)cc(OC)c(OC)c(OC)1
CH$IUPAC: InChI=1S/C14H20O4/c1-6-9(2)13(15)10-7-11(16-3)14(18-5)12(8-10)17-4/h6-9,13,15H,1H2,2-5H3
CH$LINK: INCHIKEY LXSUFJZTCALJSS-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$SPLASH: splash10-0002-0900000000-a991f886c2a60bebaeca
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 2 20
  29 3 30
  39 4 40
  53 0.2 2
  55 6 60
  65 2 20
  77 3 30
  93 0.2 2
  95 3 30
  109 2 20
  111 2 20
  123 0.3 3
  125 2 20
  138 29 290
  139 7 70
  154 2.3 23
  155 2 20
  169 53 530
  170 5 50
  181 0.2 2
  196 2 20
  197 99.99 999
  198 10 100
  203 0.27 3
  219 0.8 8
  234 2.1 21
  252 3.3 33
//