ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005201
RECORD_TITLE: DIETHYL ADIPATE; CI-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$NAME: DIETHYL ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₄
CH$EXACT_MASS: 202.12051
CH$SMILES: CCOC(=O)CCCCC(=O)OCC
CH$IUPAC: InChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3
CH$LINK: INCHIKEY VIZORQUEIQEFRT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021999

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-0udi-0290000000-3d0b93bba4946bcb6a22
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  111 1.82 18
  115 0.84 8
  128 1.02 10
  157 29.62 296
  158 2.82 28
  203 99.99 999
  204 11.68 117
  205 1.47 15
//