MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007029
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007029
RECORD_TITLE: TETRAHYDROLAVANDULOL; 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$NAME: TETRAHYDROLAVANDULOL
CH$NAME: 5-METHYL-2-ISOPROPYLHEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H22O
CH$EXACT_MASS: 158.16707
CH$SMILES: OCC(CCC(C)C)C(C)C
CH$IUPAC: InChI=1S/C10H22O/c1-8(2)5-6-10(7-11)9(3)4/h8-11H,5-7H2,1-4H3
CH$LINK: INCHIKEY
SFIQHFBITUEIBP-UHFFFAOYSA-N
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$SPLASH: splash10-0abc-9000000000-f99fb54913596259edd5
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
27 22.02 220
28 2.21 22
29 21.67 217
31 12.84 128
39 16.26 163
40 2.78 28
41 63.52 635
42 9.32 93
43 99.99 999
44 4.45 45
45 4.12 41
53 5.89 59
54 3.11 31
55 57.35 574
56 49.61 496
57 86.07 861
58 4.02 40
59 1.48 15
67 4.02 40
68 2.77 28
69 48.63 486
70 25.26 253
71 77.69 777
72 4.41 44
81 2.21 22
82 2.61 26
83 12.88 129
84 21.74 217
85 32.09 321
86 1.73 17
96 2.96 30
97 18.61 186
98 3.5 35
112 2.82 28
115 2.23 22
125 1.97 20
126 2.04 20
127 4.03 40
140 3.72 37
//