ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000072
RECORD_TITLE: ISOPROPYL SALICYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ISOPROPYL SALICYLATE
CH$NAME: ISOPROPYL ORTHO HYDROXY BENZOATE
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: INCHIKEY YEULQIJMIOWCHB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1060556

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-00di-3900000000-73c20d9d74a85b8cca92
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  27 3.45 35
  39 8.9 89
  41 5.58 56
  43 6.39 64
  59 0.63 6
  63 2.82 28
  64 4.51 45
  65 9.15 92
  92 24.33 243
  93 5.96 60
  120 99.99 999
  121 28.97 290
  122 1.88 19
  138 31.66 317
  139 2.63 26
  180 12.79 128
  181 1.32 13
//