MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009886
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009886
RECORD_TITLE: 8-HYDROXY-3,7-DIMETHYL-2,6-OCTADIENYL ACETATE(E); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 8-HYDROXY-3,7-DIMETHYL-2,6-OCTADIENYL ACETATE(E)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H20O3
CH$EXACT_MASS: 212.14124
CH$SMILES: OCC(C)=CCCC(C)=CCOC(C)=O
CH$IUPAC: InChI=1S/C12H20O3/c1-10(7-8-15-12(3)14)5-4-6-11(2)9-13/h6-7,13H,4-5,8-9H2,1-3H3/b10-7+,11-6+
CH$LINK: INCHIKEY
HZIJXISIZGWHAY-NXAIOARDSA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-00kf-9100000000-e8fc17d2cdbf477bbf13
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
27 6.6 66
29 10.5 105
31 1.8 18
39 9.8 98
40 2.7 27
41 22.8 228
42 3.2 32
43 99.99 999
44 3 30
45 3 30
53 7 70
55 3 30
57 7.8 78
65 2.8 28
67 22.5 225
68 70 700
69 13.2 132
71 5.3 53
77 4.2 42
79 7 70
80 5 50
81 10 100
82 10 100
83 7 70
84 53.7 537
85 15 150
86 2.2 22
91 6 60
92 4.2 42
93 12.6 126
94 12.6 126
95 7 70
96 3 30
97 10.3 103
105 4 40
106 2 20
107 2 20
109 6 60
110 1.5 15
119 9.8 98
120 1.3 13
121 6.8 68
122 1.2 12
123 4.2 42
126 4.2 42
127 4 40
134 15.2 152
135 5.3 53
137 3 30
152 3.8 38
//