MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009562

1,2,2-TRIMETHYL-1,3-CYCLOPENTANEDICARBOXYLIC ACID; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009562
RECORD_TITLE: 1,2,2-TRIMETHYL-1,3-CYCLOPENTANEDICARBOXYLIC ACID; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

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CH$NAME: 1,2,2-TRIMETHYL-1,3-CYCLOPENTANEDICARBOXYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆O₄
CH$EXACT_MASS: 200.10486
CH$SMILES: OC(=O)C(C1)C(C)(C)C(C)(C(O)=O)C1
CH$IUPAC: InChI=1S/C10H16O4/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)
CH$LINK: INCHIKEY LSPHULWDVZXLIL-UHFFFAOYSA-N

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AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

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PK$SPLASH: splash10-0002-0910000000-4b5734e092d1c0ccfefc
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  199 99.99 999
  200 11.62 116
  201 0.16 2
  385 0.24 2
  398 0.12 1
//