MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012075
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012075
RECORD_TITLE: 6,6-DIETHOXY-4-HEXYN-3-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SUMITA Y, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 6,6-DIETHOXY-4-HEXYN-3-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O3
CH$EXACT_MASS: 186.12559
CH$SMILES: CCOC(OCC)C#CC(O)CC
CH$IUPAC: InChI=1S/C10H18O3/c1-4-9(11)7-8-10(12-5-2)13-6-3/h9-11H,4-6H2,1-3H3
CH$LINK: INCHIKEY
KMQZWLILQMKVEI-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9800000000-8e7987f539ed410d9265
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
27 1.3 13
29 12.94 129
31 1.08 11
41 10.84 108
43 17.7 177
45 1.68 17
47 3.47 35
53 1.54 15
55 7.92 79
57 20.8 208
58 1.23 12
59 2.26 23
65 1.72 17
67 18.18 182
68 1.31 13
69 1.79 18
71 6.66 67
73 1.03 10
75 3 30
81 1.54 15
82 1.12 11
83 10.11 101
84 4.66 47
85 27.7 277
86 1.68 17
95 10.13 101
96 1.02 10
97 1.58 16
99 2.6 26
101 1.48 15
103 4.14 41
111 22.46 225
112 3.34 33
113 6.86 69
127 2.81 28
139 12.33 123
140 1.63 16
141 99.99 999
142 8.88 89
169 1.11 11
185 2.53 25
186 0.26 3
//