MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009568
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009568
RECORD_TITLE: 1,10-DECANEDIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: 1,10-DECANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H22O2
CH$EXACT_MASS: 174.16198
CH$SMILES: OCCCCCCCCCCO
CH$IUPAC: InChI=1S/C10H22O2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2
CH$LINK: INCHIKEY
FOTKYAAJKYLFFN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3059420
AC$INSTRUMENT: JEOL JMS-AX-505-H
AC$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$SPLASH: splash10-00ls-9000000000-d5b34fe31587c24e0883
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
26 2.1 21
27 39.47 395
28 12.63 126
29 56.76 568
30 2.17 22
31 99.99 999
32 1.38 14
39 28.28 283
40 6.42 64
41 94.71 947
42 26.56 266
43 31.63 316
44 6.49 65
45 5.92 59
51 1.03 10
53 8.3 83
54 29.52 295
55 70.24 702
56 18.84 188
57 16.48 165
58 1.75 18
65 1.61 16
66 8.38 84
67 63.15 632
68 68.83 688
69 46.93 469
70 16.27 163
71 13.18 132
72 2.46 25
73 3.78 38
77 1.27 13
79 4.7 47
80 3.54 35
81 65.23 652
82 92.95 930
83 44.11 441
84 11.75 118
85 13.33 133
86 3.06 31
87 1.82 18
93 2.13 21
94 3.51 35
95 68.36 684
96 66.41 664
97 34.49 345
98 14.01 140
99 9.51 95
100 1.86 19
108 1.26 13
109 35.78 358
110 42 420
111 7.31 73
112 3.08 31
113 5.63 56
123 3.28 33
124 1.21 12
126 9.98 100
127 1.65 17
128 1.32 13
137 1.56 16
138 3.68 37
157 1.16 12
175 4.32 43
//