MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012200
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012200
RECORD_TITLE: CIS-2-HEXENE; 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$NAME: CIS-2-HEXENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12
CH$EXACT_MASS: 84.09390
CH$SMILES: CCCC=CC
CH$IUPAC: InChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
CH$LINK: CAS
4050-45-7
CH$LINK: INCHIKEY
RYPKRALMXUUNKS-HWKANZROSA-N
CH$LINK: COMPTOX
DTXSID90881224
AC$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: splash10-053i-9000000000-174fd8c26d4011a793cf
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
55 14.83 148
56 2.08 21
57 43.36 434
58 1.99 20
69 31.43 314
70 2.23 22
71 29.73 297
72 1.79 18
83 77.61 776
84 17.23 172
85 99.99 999
86 6.7 67
//