MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012207
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012207
RECORD_TITLE: 3,3-DIMETHYL-1-BUTENE; 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$NAME: 3,3-DIMETHYL-1-BUTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12
CH$EXACT_MASS: 84.09390
CH$SMILES: C=CC(C)(C)C
CH$IUPAC: InChI=1S/C6H12/c1-5-6(2,3)4/h5H,1H2,2-4H3
CH$LINK: CAS
558-37-2
CH$LINK: COMPTOX
DTXSID1027211
CH$LINK: INCHIKEY
PKXHXOTZMFCXSH-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:11210
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$SPLASH: splash10-000i-9000000000-cc389eb0bb2ce607f3ec
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
55 1.66 17
57 26.29 263
58 1.34 13
69 39.07 391
70 2.69 27
71 13.85 139
83 17.69 177
84 9.31 93
85 99.99 999
86 6.81 68
//