ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008983
RECORD_TITLE: METHYL SALICY LATE; 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$NAME: METHYL SALICY LATE
CH$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$LINK: CAS 119-36-8
CH$LINK: COMPTOX DTXSID5025659
CH$LINK: INCHIKEY OSWPMRLSEDHDFF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:4133

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$SPLASH: splash10-00dl-9700000000-8449a003796d4c61d429
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  15 6.01 60
  27 1.98 20
  29 4.06 41
  30 1 10
  31 1.58 16
  37 2.29 23
  38 7.14 71
  39 25.07 251
  50 2.94 29
  51 1.94 19
  53 8.83 88
  61 1.62 16
  62 4.2 42
  63 15.77 158
  64 15.64 156
  65 25.24 252
  66 2.37 24
  74 1.33 13
  76 1.38 14
  77 1.07 11
  81 1.57 16
  92 64.72 647
  93 13.69 137
  120 99.99 999
  121 30.11 301
  122 1.79 18
  152 44.49 445
  153 3.16 32
//