MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009884
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009884
RECORD_TITLE: 6-HYDROXY-3,7-DIMETHYL-2,7-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$NAME: 6-HYDROXY-3,7-DIMETHYL-2,7-OCTADIENYL ACETATE(E)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H20O3
CH$EXACT_MASS: 212.14124
CH$SMILES: CC(=O)OCC=C(C)CCC(O)C(C)=C
CH$IUPAC: InChI=1S/C12H20O3/c1-9(2)12(14)6-5-10(3)7-8-15-11(4)13/h7,12,14H,1,5-6,8H2,2-4H3/b10-7+
CH$LINK: CAS
33766-43-7
CH$LINK: INCHIKEY
AJCBRFGINYAOCJ-JXMROGBWSA-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$SPLASH: splash10-00lu-9100000000-1a1985c37855dfd53412
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
27 10.6 106
29 7.6 76
39 10.2 102
41 35 350
42 6.2 62
43 91.6 916
44 3.1 31
45 5.2 52
53 10.7 107
54 4.2 42
55 22.5 225
57 7 70
67 66.3 663
68 40.2 402
69 47.6 476
70 5.8 58
71 41 410
72 12 120
77 5 50
79 14.6 146
80 6.5 65
81 43 430
82 41.2 412
83 10.2 102
84 99.99 999
85 7 70
91 8 80
92 6.8 68
93 15.5 155
94 8 80
95 9.2 92
96 9.6 96
97 14 140
105 10 100
106 7.5 75
107 7 70
108 5.3 53
109 11.7 117
110 10.3 103
111 4.5 45
112 4.5 45
119 21.6 216
121 2.3 23
123 8 80
124 6.2 62
126 15 150
134 19.2 192
135 4 40
137 11.6 116
152 8.8 88
//
system version 2.2.6-SNAPSHOT