MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012225
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012225
RECORD_TITLE: TRANS-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$NAME: TRANS-2-NONENE
CH$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$LINK: CAS
6434-77-1
CH$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: splash10-05y0-9200000000-d0206d3e3dc8937cde34
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
55 25.23 252
56 2.79 28
57 82.86 829
58 4.23 42
67 1.32 13
69 96.95 970
70 7.92 79
71 99.99 999
72 5.51 55
83 38.52 385
84 5.71 57
85 67.37 674
86 4.39 44
97 10.4 104
98 1.58 16
99 4.06 41
111 8.52 85
112 1.01 10
113 2.19 22
125 73.12 731
126 16.99 170
127 39.38 394
128 4.02 40
//
system version 2.2.8-SNAPSHOT