ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008915
RECORD_TITLE: METHYL 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$NAME: METHYL SALICYLATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-00dl-9800000000-aeff759175e190d33827
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  15 5.7 57
  26 1.4 14
  27 3.3 33
  28 0.11 1
  29 3 30
  37 3.3 33
  38 9.4 94
  39 3.19 32
  40 1.5 15
  50 3.6 36
  51 3 30
  52 0.15 2
  53 8.6 86
  55 1.1 11
  61 2.6 26
  62 0.56 6
  63 16.3 163
  64 18 180
  65 27.8 278
  66 0.23 2
  75 1.8 18
  76 1.5 15
  77 2.1 21
  78 0.14 1
  81 2.4 24
  91 1.4 14
  92 71.9 719
  93 1.56 16
  94 1.1 11
  120 99.99 999
  121 31.4 314
  123 0.27 3
  152 43.1 431
  153 4.1 41
//