MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009078
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009078
RECORD_TITLE: ACETALDEHYDE ETHYL TRANS-2-HEXENYL ACETAL; 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$NAME: ACETALDEHYDE ETHYL TRANS-2-HEXENYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCC=CCOC(C)OCC
CH$IUPAC: InChI=1S/C10H20O2/c1-4-6-7-8-9-12-10(3)11-5-2/h7-8,10H,4-6,9H2,1-3H3/b8-7+
CH$LINK: INCHIKEY
UMAFJFXCURZISP-BQYQJAHWSA-N
AC$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: splash10-00ea-9000000000-bf8ab628f031ed2a02fb
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
15 2.2 22
26 1.32 13
27 17.58 176
29 18.81 188
31 2.94 29
39 13.68 137
41 27.28 273
42 3.67 37
43 13.26 133
44 4.62 46
45 93.56 936
46 1.79 18
47 3.15 32
51 1.08 11
53 5.48 55
54 13.83 138
55 36.53 365
56 4.35 44
57 9.02 90
61 2.85 29
67 7.47 75
69 1.04 10
71 1.45 15
72 2.41 24
73 99.99 999
74 4.94 49
75 3.4 34
81 1.09 11
82 3.89 39
83 53.85 539
84 4.27 43
85 10.72 107
89 1.56 16
99 1.31 13
126 2.53 25
128 1.68 17
//