MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006923
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006923
RECORD_TITLE: TETRAHYDROGERANIOL; 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$NAME: TETRAHYDROGERANIOL
CH$NAME: 3,7-DIMETHYLOCTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H22O
CH$EXACT_MASS: 158.16707
CH$SMILES: OCCC(C)CCCC(C)C
CH$IUPAC: InChI=1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3
CH$LINK: INCHIKEY
PRNCMAKCNVRZFX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5044360
AC$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-cf4e5b3123dc8268afe3
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
15 1.27 13
18 1.24 12
27 25.04 250
28 3.86 39
29 28.36 284
31 32.52 325
39 20.32 203
40 3.93 39
41 79.34 793
42 24.76 248
43 99.99 999
44 4.75 48
45 4.21 42
53 7.12 71
54 3.8 38
55 89.76 898
56 99.67 997
57 71.49 715
58 2.64 26
67 5.49 55
68 5.15 52
69 66.91 669
70 76.44 764
71 32.47 325
72 1.76 18
81 2.77 28
82 4.73 47
83 25.51 255
84 22.97 230
85 5.89 59
96 6.66 67
97 21.83 218
98 2.76 28
111 8.26 83
112 19.92 199
113 1.86 19
125 2.38 24
140 1.51 15
//