MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001724

UNDECANEDIOIC ACID DIMETHYL ESTER; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001724
RECORD_TITLE: UNDECANEDIOIC ACID DIMETHYL ESTER; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

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CH$NAME: UNDECANEDIOIC ACID DIMETHYL ESTER
CH$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

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AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-03dj-0090000000-b601a1ef973ed9dde20d
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  65 0.64 6
  69 1.75 18
  70 0.21 2
  71 2.21 22
  74 1.41 14
  81 0.68 7
  83 0.97 10
  84 0.74 7
  85 0.34 3
  91 0.34 3
  98 1.13 11
  139 0.52 5
  153 0.35 4
  171 0.95 10
  179 2.47 25
  185 2.7 27
  187 0.41 4
  211 2.91 29
  212 0.33 3
  213 99.99 999
  214 12.84 128
  215 1.07 11
  245 71.97 720
  246 10.15 102
  247 1.02 10
//