MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008769
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008769
RECORD_TITLE: UNDECANAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA
CH$NAME: UNDECANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H22O
CH$EXACT_MASS: 170.16707
CH$SMILES: CCCCCCCCCCC=O
CH$IUPAC: InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3
CH$LINK: CAS
112-45-8
CH$LINK: INCHIKEY
KMPQYAYAQWNLME-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4021688
AC$INSTRUMENT: HP 5970
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: splash10-052f-9000000000-0e1bd3711b82727e6689
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
39 31.9 319
40 7.92 79
41 99.99 999
42 24.48 245
43 94.19 942
44 38.09 381
45 16.86 169
46 3.89 39
51 3.12 31
53 10.52 105
54 15.1 151
55 56.83 568
56 34.81 348
57 70.05 701
58 4.95 50
66 6.83 68
67 30.37 304
68 38.93 389
69 27.08 271
70 22.86 229
71 32.25 323
72 7.85 79
81 23.36 234
82 45.21 452
83 16.91 169
84 13.83 138
85 13.68 137
95 17.96 180
96 21.64 216
97 16.45 165
98 7.94 79
109 7.02 70
110 6.94 69
123 4.73 47
124 5.98 60
126 9.34 93
//
system version 2.2.6-SNAPSHOT