ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006093
RECORD_TITLE: DIMETHYL UNDECANEDIOATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: DIMETHYL UNDECANEDIOATE
CH$NAME: UNDECANEDIONIC ACID DIMETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₄O₄
CH$EXACT_MASS: 244.16746
CH$SMILES: COC(=O)CCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C13H24O4/c1-16-12(14)10-8-6-4-3-5-7-9-11-13(15)17-2/h3-11H2,1-2H3
CH$LINK: INCHIKEY LADJFIHHYMBJHB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90196587

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-03di-2190000000-ecebbc963b45a59ade70
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  69 8.26 83
  70 4.12 41
  71 1.75 18
  74 5.74 57
  79 2.91 29
  84 4.36 44
  87 2.34 23
  91 5.25 53
  97 2.88 29
  98 7.21 72
  112 2.1 21
  139 5.13 51
  171 5.97 60
  179 5.91 59
  199 3.95 40
  213 99.99 999
  214 11.58 116
  215 1.32 13
  245 21.44 214
  246 2.73 27
//