ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008986
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL SALICYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₃
CH$EXACT_MASS: 180.07864
CH$SMILES: CC(C)OC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C10H12O3/c1-7(2)13-10(12)8-5-3-4-6-9(8)11/h3-7,11H,1-2H3
CH$LINK: CAS 607-85-2
CH$LINK: INCHIKEY YEULQIJMIOWCHB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1060556

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$SPLASH: splash10-00di-5900000000-a9be86146f9d22494aae
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 6.4 64
  29 1.37 14
  38 2.18 22
  39 16.17 162
  41 7.97 80
  43 8.25 83
  53 2.37 24
  62 1.06 11
  63 5.78 58
  64 7.05 71
  65 14.03 140
  66 1.15 12
  81 1.26 13
  92 28.11 281
  93 6.64 66
  120 99.99 999
  121 28.27 283
  122 2.08 21
  138 28.42 284
  139 1.64 16
  180 14.1 141
  181 1.25 13
//