MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007315
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007315
RECORD_TITLE: 1,10-DECANEDIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$LINK: CAS
112-47-0
CH$LINK: INCHIKEY
FOTKYAAJKYLFFN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3059420
AC$INSTRUMENT: ESCO EMD-05A
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: splash10-0apl-9000000000-18ef7d3c11ed477de740
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
27 38.54 385
28 2.27 23
29 25.84 258
30 2.55 26
31 98.91 989
40 16.25 163
41 6.62 66
42 90.47 905
43 13.01 130
44 16.23 162
45 3.68 37
46 4.92 49
54 12 120
55 68.06 681
56 99.99 999
57 19.22 192
58 26.2 262
64 1.75 18
65 6.05 61
66 30.47 305
67 49.43 494
68 69.84 698
69 24.73 247
70 18.86 189
71 2.27 23
73 2.91 29
80 3.27 33
81 2.19 22
82 46.47 465
83 36.37 364
84 16.98 170
85 9.84 98
86 6.34 63
87 1.55 16
94 1.13 11
95 38.82 388
96 40.83 408
97 17.41 174
98 4.3 43
99 3.86 39
109 11.49 115
110 16.69 167
111 2.29 23
113 2.19 22
126 4.51 45
138 1.24 12
174 3.22 32
//
system version 2.2.6-SNAPSHOT