MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012159
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012159
RECORD_TITLE: UNDECANE; 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$NAME: UNDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H24
CH$EXACT_MASS: 156.18780
CH$SMILES: CCCCCCCCCCC
CH$IUPAC: InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3
CH$LINK: CAS
1120-21-4
CH$LINK: INCHIKEY
RSJKGSCJYJTIGS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9021689
AC$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: splash10-0a4i-9800000000-e16f69b0d73326e5e760
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
55 3.38 34
56 2.33 23
57 31.37 314
58 1.46 15
59 1.05 11
69 1.48 15
71 42.37 424
72 2.61 26
85 32.03 320
86 2.16 22
99 19.92 199
100 1.51 15
113 7.96 80
127 2.05 21
141 6.26 63
155 99.99 999
156 14.29 143
//