MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012223
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012223
RECORD_TITLE: 1-NONENE; 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$NAME: 1-NONENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18
CH$EXACT_MASS: 126.14085
CH$SMILES: CCCCCCCC=C
CH$IUPAC: InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3
CH$LINK: CAS
124-11-8
CH$LINK: INCHIKEY
JRZJOMJEPLMPRA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2059562
AC$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: splash10-0avr-9100000000-fb26f86cbef6e79675bb
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
55 16.39 164
56 2.92 29
57 84.54 845
58 3.62 36
67 1.02 10
69 84.18 842
70 7.04 70
71 99.99 999
72 5.27 53
83 42.63 426
84 5.84 58
85 68.54 685
86 4.1 41
97 8.25 83
98 1.28 13
99 3.96 40
111 4.94 49
113 1.82 18
125 23.69 237
126 7.43 74
127 22.51 225
128 1.99 20
//