ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009044
RECORD_TITLE: PHENYLETHYL 2-FUROATE; 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$NAME: PHENYLETHYL 2-FUROATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₂O₃
CH$EXACT_MASS: 216.07864
CH$SMILES: O=C(OCCc(c2)cccc2)c(c1)occ1
CH$IUPAC: InChI=1S/C13H12O3/c14-13(12-7-4-9-15-12)16-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2
CH$LINK: COMPTOX DTXSID90221707
CH$LINK: INCHIKEY QKPSYARWSBJEDY-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:251531

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$SPLASH: splash10-0udj-8900000000-25d5d3ade6100e5acda9
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  27 1.66 17
  38 2.49 25
  39 17.01 170
  50 1.11 11
  51 4.96 50
  52 1.09 11
  63 1.44 14
  65 5.07 51
  67 1.42 14
  77 6.44 64
  78 4.33 43
  79 2.44 24
  91 10.42 104
  95 51.89 519
  96 2.44 24
  103 4.78 48
  104 99.99 999
  105 12.33 123
//