MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007685
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007685
RECORD_TITLE: UNDECANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KYOTO INSTITUTE OF TECHNOLOGY
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: SHIMADZU QP-1000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9000000000-531ffbd4e0c13e7c70a4
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
40 2.5 25
41 51.1 511
42 15.1 151
43 99.99 999
44 3.8 38
53 1.7 17
54 1.1 11
55 1.05 11
56 11.2 112
57 61 610
58 2.7 27
67 0.05 1
68 0.3 3
69 2.7 27
70 5.6 56
71 2.03 20
72 1.2 12
73 1.7 17
83 0.7 7
84 0.33 3
85 9.5 95
86 1.1 11
98 1.6 16
99 0.13 1
112 0.6 6
113 0.8 8
126 0.2 2
127 0.04 0
156 0.7 7
157 0.1 1
//
system version 2.2.6-SNAPSHOT