MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006863
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006863
RECORD_TITLE: UNDECANOL; 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$NAME: UNDECANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H24O
CH$EXACT_MASS: 172.18272
CH$SMILES: CCCCCCCCCCCO
CH$IUPAC: InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
CH$LINK: INCHIKEY
KJIOQYGWTQBHNH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0026915
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$SPLASH: splash10-0a4l-9000000000-a674e00407a29d9f0246
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
26 1.06 11
27 24.42 244
28 5.69 57
29 42.92 429
30 1.31 13
31 37.3 373
39 16.83 168
40 3.86 39
41 88.5 885
42 34.28 343
43 91.86 919
44 4.95 50
45 2.94 29
53 5.8 58
54 7.72 77
55 99.99 999
56 79.76 798
57 52.73 527
58 2.02 20
67 9.62 96
68 28.61 286
69 76.92 769
70 68.9 689
71 17.21 172
73 2.07 21
81 2.83 28
82 23.41 234
83 58.96 590
84 45.1 451
85 8.45 85
96 6.02 60
97 39 390
98 18.62 186
99 1.73 17
110 1.48 15
111 11.63 116
112 5.67 57
125 4.68 47
126 13.63 136
127 1.47 15
154 1.98 20
//
system version 2.2.6-SNAPSHOT