MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009109
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009109
RECORD_TITLE: ACETALDEHYDE DI-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$NAME: ACETALDEHYDE DI-TRANS-2-HEXENYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H26O2
CH$EXACT_MASS: 226.19328
CH$SMILES: CCCC=CCOC(C)OCC=CCCC
CH$IUPAC: InChI=1S/C14H26O2/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2/h8-11,14H,4-7,12-13H2,1-3H3/b10-8+,11-9+
CH$LINK: INCHIKEY
FVXJKQGRPGCDDF-GFULKKFKSA-N
AC$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: splash10-053r-9000000000-a5c0b0886655310e79a7
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
27 9.98 100
29 11.09 111
39 11.06 111
41 40.23 402
42 6.23 62
43 10.57 106
44 1.09 11
45 4.41 44
53 4.88 49
54 11.68 117
55 69.23 692
56 9.4 94
57 15.24 152
58 1.01 10
67 10.63 106
68 1.09 11
69 3.61 36
71 1.96 20
81 6.02 60
82 11.89 119
83 99.99 999
84 9.92 99
85 1.36 14
97 1.45 15
99 6.87 69
100 1.52 15
109 1.09 11
113 1.26 13
126 1.79 18
127 7.36 74
138 1.75 18
139 1.78 18
//