ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008919
RECORD_TITLE: ISOPENTYL SALICYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ISOPENTYL SALICYLATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-00dl-9600000000-5a35db6cf062e262bd0f
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  27 11.7 117
  28 1.9 19
  29 13 130
  38 0.28 3
  39 24.2 242
  40 1.6 16
  41 17.2 172
  42 0.46 5
  43 50 500
  44 1.6 16
  50 1.3 13
  51 0.13 1
  53 3.2 32
  55 15.8 158
  56 1.3 13
  62 0.14 1
  63 6.3 63
  64 7.6 76
  65 24.4 244
  66 0.16 2
  69 2.1 21
  70 22.5 225
  71 11.4 114
  81 0.19 2
  92 20.9 209
  93 10.1 101
  94 1.3 13
  120 99.99 999
  121 38.8 388
  122 3.6 36
  138 41.3 413
  139 0.76 8
  208 19.3 193
  209 2.7 27
//