MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012192
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012192
RECORD_TITLE: TERT-BUTYLCYCLOHEXANE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: TERT-BUTYLCYCLOHEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20
CH$EXACT_MASS: 140.15650
CH$SMILES: CC(C)(C)C(C1)CCCC1
CH$IUPAC: InChI=1S/C10H20/c1-10(2,3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
CH$LINK: CAS
3178-22-1
CH$LINK: INCHIKEY
XTVMZZBLCLWBPM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80185642
AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE
PK$SPLASH: splash10-000i-3900000000-c6ea14ae820c020954be
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
56 5.01 50
57 21.65 217
58 1.04 10
71 4.33 43
81 3.79 38
82 1.38 14
83 15.49 155
85 4.78 48
97 3.61 36
99 1.43 14
125 45.98 460
126 4.33 43
139 99.99 999
140 11.6 116
141 3.93 39
//