ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010880
RECORD_TITLE: 4-METHYLBENZYL 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$NAME: 4-METHYLBENZYL SALICYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₄O₃
CH$EXACT_MASS: 242.09429
CH$SMILES: Cc(c2)ccc(c2)COC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C15H14O3/c1-11-6-8-12(9-7-11)10-18-15(17)13-4-2-3-5-14(13)16/h2-9,16H,10H2,1H3
CH$LINK: INCHIKEY CAKKYSSTIPDPQG-UHFFFAOYSA-N

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$SPLASH: splash10-0a4i-3900000000-711dce4c13237f213661
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  27 1.5 15
  39 5.3 53
  51 1.5 15
  53 1.3 13
  63 2.2 22
  64 1.3 13
  65 5.9 59
  77 7.5 75
  78 2.8 28
  79 5.6 56
  91 1.7 17
  92 1.9 19
  93 1.5 15
  103 3.9 39
  104 2.8 28
  105 99.99 999
  106 9.3 93
  121 2.8 28
  242 4.3 43
//