ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000078
RECORD_TITLE: ISOAMYL 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$NAME: ISOAMYL SALICYLATE
CH$NAME: ISOAMYL ORTHO HYDROXY BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₃
CH$EXACT_MASS: 208.10994
CH$SMILES: CC(C)CCOC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3
CH$LINK: INCHIKEY PMGCQNGBLMMXEW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9041655

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$SPLASH: splash10-00dl-9800000000-e932949ffff596a0e7a8
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 5.37 54
  29 7.05 71
  39 15.85 159
  41 13.74 137
  42 4.23 42
  43 41.83 418
  53 3.13 31
  55 14.97 150
  63 4.4 44
  64 5.68 57
  65 18.58 186
  66 1.28 13
  69 1.32 13
  70 18.58 186
  71 9.78 98
  92 24.17 242
  93 10.57 106
  120 99.99 999
  121 37.91 379
  122 3.04 30
  138 35.4 354
  139 6.91 69
  208 13.21 132
  209 1.72 17
//