MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012224
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012224
RECORD_TITLE: CIS-2-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$NAME: CIS-2-NONENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18
CH$EXACT_MASS: 126.14085
CH$SMILES: CCCCCCC=CC
CH$IUPAC: InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3,5H,4,6-9H2,1-2H3/b5-3+
CH$LINK: CAS
6434-78-2
CH$LINK: INCHIKEY
IICQZTQZQSBHBY-HWKANZROSA-N
CH$LINK: COMPTOX
DTXSID60883134
AC$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: splash10-0ay0-9200000000-6260b53891f2d9497443
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
55 20.12 201
56 2.68 27
57 82.05 821
58 3.21 32
69 89.3 893
70 7.02 70
71 99.99 999
72 5.04 50
83 35.79 358
84 5.1 51
85 69.01 690
86 4.21 42
97 9.52 95
98 1.43 14
99 4.42 44
111 6.93 69
113 2.22 22
125 44.48 445
126 12.86 129
127 32.16 322
128 3.23 32
//