MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008768
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008768
RECORD_TITLE: DECANAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
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$LINK: CAS
112-31-2
CH$LINK: INCHIKEY
KSMVZQYAVGTKIV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4021553
AC$INSTRUMENT: HP 5970
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-9000000000-68c403b2d9fe194c1c55
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
39 34.46 345
41 99.99 999
42 29.68 297
43 80.3 803
44 43.28 433
45 13.16 132
51 1.36 14
52 1.12 11
53 7.91 79
54 13.2 132
55 56.91 569
56 33.72 337
57 71.08 711
58 5 50
65 1.57 16
66 5.74 57
67 25.91 259
68 29.6 296
69 22.19 222
70 31.85 319
71 30.08 301
72 6.15 62
77 0.9 9
79 3.1 31
80 2.07 21
81 22.93 229
82 31.59 316
83 22.75 228
84 10.16 102
85 2.83 28
95 14.88 149
96 11.84 118
97 3.87 39
99 2.44 24
100 1.22 12
109 6.35 64
110 9.06 91
112 12.37 124
113 1.86 19
128 2.52 25
138 1.23 12
//
system version 2.2.6-SNAPSHOT