ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003655
RECORD_TITLE: BENZYL OXALATE; 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$NAME: BENZYL OXALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₄O₄
CH$EXACT_MASS: 270.08921
CH$SMILES: O=C(OCc(c2)cccc2)C(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C16H14O4/c17-15(19-11-13-7-3-1-4-8-13)16(18)20-12-14-9-5-2-6-10-14/h1-10H,11-12H2
CH$LINK: INCHIKEY ZYZXGWGQYNTGAU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4038926

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001l-5900000000-7b7208da9a957e829ee1
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  91 79.4 794
  92 11.3 113
  107 13.7 137
  108 0.18 2
  179 34 340
  180 99.99 999
  181 14.5 145
  182 0.12 1
  197 0.6 6
  270 5.6 56
  271 1.1 11
  272 0.2 2
//