MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008593
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008593
RECORD_TITLE: TRANS-2-OCTENAL; 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$NAME: TRANS-2-OCTENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H14O
CH$EXACT_MASS: 126.10447
CH$SMILES: CCCCCC=CC=O
CH$IUPAC: InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+
CH$LINK: INCHIKEY
LVBXEMGDVWVTGY-VOTSOKGWSA-N
CH$LINK: COMPTOX
DTXSID40858789
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$SPLASH: splash10-05bf-9000000000-99a25373b09ae940cc4d
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
15 2.45 25
26 4.17 42
27 52.26 523
28 6.37 64
29 65.98 660
30 1.57 16
37 1.12 11
38 3.9 39
39 57.47 575
40 7.42 74
41 99.99 999
42 37.9 379
43 15.51 155
44 1.25 13
50 2.46 25
51 4.63 46
52 2.01 20
53 13.23 132
54 5.03 50
55 73.26 733
56 13.78 138
57 49.61 496
58 13.77 138
63 1.17 12
65 2.13 21
66 1.82 18
67 18.78 188
68 13.42 134
69 33.74 337
70 70.14 701
71 8.28 83
77 1.9 19
79 4.93 49
80 2.17 22
81 3.74 37
82 25.82 258
83 49.34 493
84 13.84 138
85 1.72 17
93 5.65 57
95 3.29 33
97 11.14 111
98 6.81 68
108 3.38 34
111 1.78 18
//