ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010870
RECORD_TITLE: 2-METHYLBUTYL SALICYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 2-METHYLBUTYL SALICYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₃
CH$EXACT_MASS: 208.10994
CH$SMILES: CCC(C)COC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C12H16O3/c1-3-9(2)8-15-12(14)10-6-4-5-7-11(10)13/h4-7,9,13H,3,8H2,1-2H3
CH$LINK: INCHIKEY LCMNCRZMVCRJNZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3052145

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-00di-9700000000-570811aea3ab8c74ff00
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 10.6 106
  29 15.5 155
  38 1.6 16
  39 20 200
  41 15.4 154
  42 4.1 41
  43 36.1 361
  53 3.2 32
  55 12.5 125
  57 1.8 18
  63 4.3 43
  64 6 60
  65 21.5 215
  66 1.6 16
  70 16.1 161
  71 7.8 78
  92 19.6 196
  93 8.9 89
  120 99.99 999
  121 37.3 373
  122 2.5 25
  138 38.9 389
  139 4.2 42
  208 9.5 95
  209 1.1 11
//