MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005199

ISOPROPYL CAPRYLATE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005199
RECORD_TITLE: ISOPROPYL CAPRYLATE; 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

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CH$NAME: ISOPROPYL CAPRYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O₂
CH$EXACT_MASS: 186.16198
CH$SMILES: CCCCCCCC(=O)OC(C)C
CH$IUPAC: InChI=1S/C11H22O2/c1-4-5-6-7-8-9-11(12)13-10(2)3/h10H,4-9H2,1-3H3
CH$LINK: INCHIKEY WCGIIHOFOFCKSM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30203007

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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

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PK$SPLASH: splash10-000i-0900000000-3afa022ddad308f3ab0b
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  127 1.54 15
  143 1.53 15
  145 16.7 167
  146 1.61 16
  185 2.38 24
  186 0.94 9
  187 99.99 999
  188 13.22 132
  189 1.36 14
//