MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001483
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001483
RECORD_TITLE: OCTYLALDEHYDE; 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$NAME: OCTYLALDEHYDE
CH$NAME: OCTANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16O
CH$EXACT_MASS: 128.12012
CH$SMILES: CCCCCCCC=O
CH$IUPAC: InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
CH$LINK: INCHIKEY
NUJGJRNETVAIRJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3021643
AC$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-fe177a98511039e9f7a6
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
15 3.6 36
26 2.78 28
27 52.62 526
28 10.58 106
29 59.44 594
30 2.24 22
31 2.82 28
38 1.54 15
39 30.58 306
40 5.46 55
41 88.17 882
42 43.65 437
43 99.99 999
44 79.36 794
45 21.39 214
50 1.07 11
51 2.05 21
52 1.03 10
53 6.33 63
54 8.57 86
55 54.38 544
56 61.92 619
57 45.29 453
58 5.32 53
59 1.07 11
65 1.17 12
66 3.63 36
67 17.98 180
68 22.01 220
69 26.73 267
70 2.97 30
71 9.08 91
72 8.17 82
79 1.32 13
81 19.27 193
82 21.35 214
83 2.53 25
84 52.69 527
85 16.26 163
86 2.38 24
95 6.63 66
99 2.89 29
100 11.1 111
109 1.2 12
110 12.35 124
111 1.47 15
128 1 10
//