MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006866
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006866
RECORD_TITLE: DODECANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: DODECANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H26O
CH$EXACT_MASS: 186.19837
CH$SMILES: CCCCCCCCCCCCO
CH$IUPAC: InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
CH$LINK: INCHIKEY
LQZZUXJYWNFBMV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5026918
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a4l-9000000000-0265898e793080c75dbb
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
15 1.06 11
27 20.53 205
29 44.87 449
30 1.13 11
31 39.1 391
39 15.66 157
40 1.75 18
41 89.53 895
42 32.27 323
43 96.45 965
44 3.67 37
45 2.75 28
53 5.53 55
54 8.16 82
55 99.99 999
56 71.97 720
57 59.91 599
58 3.17 32
67 9.47 95
68 29.7 297
69 76.3 763
70 67.25 673
71 16.24 162
72 1.19 12
73 2.2 22
81 3.45 35
82 21.68 217
83 60.85 609
84 39.18 392
85 8.65 87
96 5.95 60
97 37.42 374
98 18.75 188
99 2.03 20
110 2.49 25
111 15.46 155
112 9.61 96
124 1.04 10
125 4.69 47
126 2.66 27
139 1.72 17
140 7.9 79
141 1.7 17
168 2.11 21
//
system version 2.2.6-SNAPSHOT