MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008684
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008684
RECORD_TITLE: TRANS-2-NONENAL; 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$NAME: TRANS-2-NONENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16O
CH$EXACT_MASS: 140.12012
CH$SMILES: CCCCCCC=CC=O
CH$IUPAC: InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7+
CH$LINK: INCHIKEY
BSAIUMLZVGUGKX-BQYQJAHWSA-N
CH$LINK: COMPTOX
DTXSID0047086
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$SPLASH: splash10-054o-9000000000-17c8fee9e98238a754e9
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
15 2.41 24
26 3.72 37
27 56.28 563
28 6.35 64
29 56.41 564
30 1.18 12
38 2.51 25
39 57.17 572
40 7.23 72
41 99.99 999
42 30.34 303
43 88.19 882
44 2.89 29
50 1.78 18
51 4.28 43
52 2.32 23
53 15.19 152
54 15.76 158
55 71.05 711
56 27.21 272
57 43.55 436
58 5.97 60
65 2.61 26
66 2.66 27
67 17.09 171
68 11.11 111
69 35.24 352
70 65.18 652
71 7.59 76
72 8.11 81
77 2.42 24
79 5.65 57
80 2.94 29
81 15.96 160
82 4.7 47
83 43.94 439
84 22.67 227
85 2.66 27
93 7.65 77
94 4.17 42
95 2.08 21
96 18.35 184
97 11.73 117
98 10.38 104
99 1.08 11
107 2.65 27
109 2.24 22
111 4.59 46
112 1.79 18
122 3 30
//