MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007028
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007028
RECORD_TITLE: TETRAHYDROLINALOOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: TETRAHYDROLINALOOL
CH$NAME: 3,7-DIMETHYL-3-OCTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H22O
CH$EXACT_MASS: 158.16707
CH$SMILES: CC(C)CCCC(C)(O)CC
CH$IUPAC: InChI=1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3
CH$LINK: INCHIKEY
DLHQZZUEERVIGQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7029110
AC$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: splash10-00di-9000000000-03f4bb0960531ca3cf0d
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
27 5.36 54
28 1.07 11
29 10.86 109
31 1.73 17
39 3.67 37
41 10.61 106
42 1.22 12
43 20.6 206
45 5.48 55
53 1.35 14
55 20.87 209
56 1.52 15
57 6.48 65
58 4.07 41
59 1.76 18
69 26.35 264
70 4.28 43
71 4.22 42
72 3.14 31
73 99.99 999
74 4.69 47
83 4.62 46
85 1.23 12
111 6.13 61
129 14.78 148
130 1.05 11
143 4.71 47
//