MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009796
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009796
RECORD_TITLE: 1,10-DECANEDIOL; 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$NAME: 1,10-DECANEDIOL
CH$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$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-067i-9000000000-510f20afc116b1789722
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
27 10.5 105
29 20.6 206
31 27.6 276
39 1.13 11
41 66.5 665
42 20.6 206
43 29 290
44 0.55 6
45 5.6 56
53 5.7 57
54 43.9 439
55 99.99 999
56 29.4 294
57 24.3 243
58 3.5 35
66 1.05 11
67 80.3 803
68 88.4 884
69 52.6 526
70 2.28 23
71 16.3 163
72 2.9 29
73 4.8 48
79 0.46 5
81 60.2 602
82 70 700
83 27 270
84 1.17 12
85 8.6 86
95 38.8 388
96 27.2 272
97 1.81 18
98 8.8 88
99 4.6 46
109 16.6 166
110 1.49 15
126 3.3 33
//