MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012229
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012229
RECORD_TITLE: 2,4-DIMETHYL-1-HEPTENE; 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$NAME: 2,4-DIMETHYL-1-HEPTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18
CH$EXACT_MASS: 126.14085
CH$SMILES: CCCC(C)CC(C)=C
CH$IUPAC: InChI=1S/C9H18/c1-5-6-9(4)7-8(2)3/h9H,2,5-7H2,1,3-4H3
CH$LINK: INCHIKEY
CZGAOHSMVSIJJZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90864895
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$SPLASH: splash10-0629-9200000000-9a110b480030569d280d
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
55 6.63 66
56 1.18 12
57 79.23 792
58 3.39 34
68 2.65 27
69 60.38 604
70 9.41 94
71 99.99 999
72 5.57 56
83 21.21 212
84 2.48 25
85 46.49 465
86 3.1 31
97 9.67 97
98 1.6 16
99 4.01 40
111 18.45 185
112 2.01 20
113 1.85 19
125 28.83 288
126 5.49 55
127 26.48 265
128 3.14 31
//