ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010912
RECORD_TITLE: 4-METHYLPENTYL BENZOATE; 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$NAME: 4-METHYLPENTYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈O₂
CH$EXACT_MASS: 206.13068
CH$SMILES: CC(C)CCCOC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H18O2/c1-11(2)7-6-10-15-13(14)12-8-4-3-5-9-12/h3-5,8-9,11H,6-7,10H2,1-2H3
CH$LINK: INCHIKEY UUNAMHRNRUJYDO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80280949

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$SPLASH: splash10-0ab9-9600000000-4d53cb4ee000f7a933ba
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 9.1 91
  29 5.3 53
  39 7.7 77
  41 23.7 237
  42 6.2 62
  43 24.6 246
  50 5.1 51
  51 18.3 183
  52 1.2 12
  53 1.2 12
  55 7.4 74
  56 42.3 423
  57 2.8 28
  69 16 160
  75 1.1 11
  76 2.7 27
  77 54.8 548
  78 4.8 48
  79 7.7 77
  83 2.7 27
  84 31.1 311
  85 1.9 19
  105 99.99 999
  106 8.4 84
  122 11.1 111
  123 79.9 799
  124 6.3 63
  163 1.4 14
//