MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012227
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012227
RECORD_TITLE: CIS-4-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$NAME: CIS-4-NONENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18
CH$EXACT_MASS: 126.14085
CH$SMILES: CCCCC=CCCC
CH$IUPAC: InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h7,9H,3-6,8H2,1-2H3/b9-7+
CH$LINK: CAS
10405-85-3
CH$LINK: INCHIKEY
KPADFPAILITQBG-VQHVLOKHSA-N
CH$LINK: COMPTOX
DTXSID60873999
AC$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: splash10-062i-9200000000-26b7ff6bd43367bd31c6
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
55 12.67 127
56 2.11 21
57 77.39 774
58 3.2 32
69 69.45 695
70 6.26 63
71 99.99 999
72 5.13 51
83 44.2 442
84 5.38 54
85 68.64 686
86 4.35 44
97 16.47 165
98 1.7 17
99 3.67 37
111 9.42 94
113 2.36 24
125 49.49 495
126 14.03 140
127 32.74 327
128 2.98 30
//