MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005208
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005208
RECORD_TITLE: DECYL ALCOHOL; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: DECYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H22O
CH$EXACT_MASS: 158.16707
CH$SMILES: CCCCCCCCCCO
CH$IUPAC: InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
CH$LINK: INCHIKEY
MWKFXSUHUHTGQN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7021946
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-0006-4900000000-330dbcd21a1b1614fd5c
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
82 4.32 43
84 20.27 203
85 32.55 326
86 2.16 22
96 1.14 11
97 6.91 69
98 1.77 18
99 11.43 114
100 0.95 10
111 1.92 19
112 2.73 27
138 3.95 40
139 2.25 23
140 4.61 46
141 99.99 999
142 11.36 114
156 2.85 29
157 20.88 209
158 2.43 24
159 1.29 13
//
system version 2.2.6-SNAPSHOT