ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003815
RECORD_TITLE: GLYCEROL-1-(O-TOLYL) ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: GLYCEROL-1-(O-TOLYL) ETHER
CH$NAME: MEPHENESIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O₃
CH$EXACT_MASS: 182.09429
CH$SMILES: OCC(O)COc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3
CH$LINK: COMPTOX DTXSID4023254
CH$LINK: INCHIKEY JWDYCNIAQWPBHD-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:4059

AC$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-0a4i-5900000000-3ce39ed63d61e07d52b5
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  51 7.4 74
  52 3.9 39
  53 3.4 34
  54 0.04 0
  55 2.4 24
  56 1.4 14
  57 7.9 79
  61 0.24 2
  62 1.4 14
  63 3.9 39
  65 10.9 109
  77 1.24 12
  78 5.9 59
  79 9.4 94
  80 4.9 49
  89 0.34 3
  90 7.4 74
  91 22.9 229
  92 3.9 39
  93 0.19 2
  105 3.9 39
  106 1.4 14
  107 23.9 239
  108 99.99 999
  109 12.9 129
  121 5.9 59
  122 2.9 29
  133 0.49 5
  151 1.4 14
  182 18.9 189
  183 2.4 24
//