MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008687
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008687
RECORD_TITLE: DECANAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-052f-9000000000-87164b5c9889aeaf6447
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
15 2.24 22
26 1.98 20
27 46.56 466
29 62.7 627
30 1.55 16
31 1.5 15
39 31.24 312
40 4.1 41
41 99.99 999
42 32.06 321
43 91.73 917
44 52.86 529
45 15.51 155
51 1.54 15
53 7.4 74
54 15.28 153
55 63.13 631
56 38.27 383
57 79.56 796
58 5.34 53
65 1.01 10
66 3.8 38
67 27.08 271
68 36.52 365
69 26.91 269
70 41.86 419
71 35.72 357
72 6.53 65
79 1.45 15
80 1.13 11
81 23.78 238
82 35.24 352
83 25.56 256
84 13.79 138
85 3.73 37
86 1.36 14
95 19.04 190
96 16.01 160
97 4.49 45
99 2.34 23
109 6.71 67
110 14.43 144
111 1.21 12
112 23.89 239
113 2.67 27
128 4.22 42
138 2.52 25
//
system version 2.2.6-SNAPSHOT