MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012231
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012231
RECORD_TITLE: 1-UNDECENE; 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$NAME: 1-UNDECENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H22
CH$EXACT_MASS: 154.17215
CH$SMILES: CCCCCCCCCC=C
CH$IUPAC: InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3
CH$LINK: CAS
821-95-4
CH$LINK: INCHIKEY
DCTOHCCUXLBQMS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5061168
AC$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: splash10-05a2-9100000000-64fb0a9f78c8bae0e32b
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
55 7.19 72
57 93.68 937
58 4.33 43
69 31.28 313
70 4.07 41
71 99.99 999
72 5.79 58
81 2.71 27
82 1.5 15
83 94.14 941
84 8.19 82
85 82.43 824
86 5.07 51
95 2.12 21
97 91.83 918
98 8.09 81
99 38.71 387
100 3.12 31
111 17.87 179
112 1.29 13
113 13.48 135
114 1.58 16
125 1.9 19
127 2.94 29
141 1.31 13
153 11.98 120
154 5.45 55
155 32.9 329
156 3.85 39
//