ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000065
RECORD_TITLE: METHYL 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$NAME: METHYL SALICYLATE
CH$NAME: METHYL ORTHO HYDROXY BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₃
CH$EXACT_MASS: 152.04734
CH$SMILES: COC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
CH$LINK: INCHIKEY OSWPMRLSEDHDFF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5025659

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$SPLASH: splash10-00dl-9800000000-4c121b87ee97a30f4150
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 1.28 13
  29 2.78 28
  38 4.78 48
  39 20.47 205
  50 2.14 21
  51 1.64 16
  53 5.85 59
  62 2.85 29
  63 12.84 128
  64 16.12 161
  65 24.18 242
  66 2.14 21
  92 66.62 666
  93 17.33 173
  94 1.78 18
  120 99.99 999
  121 30.88 309
  122 2.07 21
  137 0.71 7
  152 41.37 414
  153 3.57 36
//