MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012216
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012216
RECORD_TITLE: TRANS-2-OCTENE; 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$NAME: TRANS-2-OCTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16
CH$EXACT_MASS: 112.12520
CH$SMILES: CCCCCC=CC
CH$IUPAC: InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+
CH$LINK: CAS
7642-04-8
CH$LINK: INCHIKEY
ILPBINAXDRFYPL-HWKANZROSA-N
CH$LINK: COMPTOX
DTXSID30872994
AC$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: splash10-0c00-9300000000-44b3f0fa1229f13ab853
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
55 32.18 322
56 2.59 26
57 97.2 972
58 4.15 42
69 37.55 376
70 4.07 41
71 99.99 999
72 5.38 54
83 8.3 83
84 1.53 15
85 12.08 121
97 13.25 133
98 1.06 11
99 2.32 23
111 73.32 733
112 13.2 132
113 22.62 226
114 1.94 19
//