MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001485
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001485
RECORD_TITLE: DECYLALDEHYDE; 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$NAME: DECYLALDEHYDE
CH$NAME: DECANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O
CH$EXACT_MASS: 156.15142
CH$SMILES: CCCCCCCCCC=O
CH$IUPAC: InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3
CH$LINK: INCHIKEY
KSMVZQYAVGTKIV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4021553
AC$INSTRUMENT: HITACHI RMU-6M
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: splash10-052f-9000000000-7749bc046eaf4c263d51
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
15 2.8 28
26 1.97 20
27 45.73 457
28 9.74 97
29 64.07 641
30 2.18 22
31 3.03 30
39 27.08 271
40 4.92 49
41 99.99 999
42 33.85 339
43 97.86 979
44 54.46 545
45 17.91 179
51 1.47 15
53 7.21 72
54 15.49 155
55 62.98 630
56 40.49 405
57 49.25 493
58 5.24 52
59 1.3 13
65 1.21 12
66 4.97 50
67 25.59 256
68 34.4 344
69 29.14 291
70 41.81 418
71 26.32 263
72 7.38 74
79 1.88 19
80 1.39 14
81 22.03 220
82 34.5 345
83 25.61 256
84 15.79 158
85 3.97 40
86 1.52 15
94 1.09 11
95 16.35 164
96 16.17 162
97 5.44 54
98 1.09 11
99 2.56 26
100 1.27 13
109 7.74 77
110 13.56 136
111 1.79 18
112 24.29 243
113 3.06 31
128 4.97 50
138 4.77 48
//
system version 2.2.6-SNAPSHOT