MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012214
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012214
RECORD_TITLE: 1-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$NAME: 1-OCTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16
CH$EXACT_MASS: 112.12520
CH$SMILES: CCCCCCC=C
CH$IUPAC: InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
CH$LINK: CAS
111-66-0
CH$LINK: INCHIKEY
KWKAKUADMBZCLK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6025804
AC$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: splash10-0c00-9200000000-aaad45069e2199eb6947
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
55 23.19 232
56 2.51 25
57 99.99 999
58 4.55 46
69 37.98 380
70 4.38 44
71 99.15 992
72 4.99 50
83 11.05 111
84 2.01 20
85 12.5 125
97 11.78 118
99 3.02 30
111 44.02 440
112 8 80
113 19.6 196
114 1.57 16
125 1.26 13
//