MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008640
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008640
RECORD_TITLE: TRANS-2-HEXENAL DIETHYL 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$NAME: TRANS-2-HEXENAL DIETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCC=CC(OCC)OCC
CH$IUPAC: InChI=1S/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h8-10H,4-7H2,1-3H3/b9-8+
CH$LINK: INCHIKEY
WMQKYHTZGYIHHD-CMDGGOBGSA-N
CH$LINK: COMPTOX
DTXSID50886871
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$SPLASH: splash10-056r-9200000000-df0ab4050243adc6680b
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
15 1.58 16
26 1.27 13
27 23.03 230
28 1.55 16
29 42.12 421
30 1.22 12
31 3.25 33
39 8.06 81
40 1.85 19
41 22.03 220
42 4.82 48
43 14.19 142
44 1.11 11
45 3.72 37
47 17.09 171
51 1.15 12
53 3.66 37
55 13.99 140
56 1.18 12
57 99.99 999
58 2.77 28
67 1.69 17
68 1.03 10
69 9.48 95
70 7.38 74
71 3.24 32
73 9.85 99
75 7.41 74
81 6.94 69
83 3.99 40
85 24.62 246
86 1.28 13
87 2.39 24
97 1.7 17
98 2.36 24
99 8.75 88
101 2.68 27
103 7.63 76
115 2.12 21
116 1.67 17
127 80.49 805
128 5.92 59
129 8.28 83
130 1.17 12
143 1.88 19
//