MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009562
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
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$LINK: INCHIKEY
LSPHULWDVZXLIL-UHFFFAOYSA-N
AC$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$MASS_SPECTROMETRY: REAGENT_GAS METHANE
PK$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
//
system version 2.2.8-SNAPSHOT