MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008453
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008453
RECORD_TITLE: TRANS-2-HEXENAL DIMETHYL 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$NAME: TRANS-2-HEXENAL DIMETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16O2
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCC=CC(OC)OC
CH$IUPAC: InChI=1S/C8H16O2/c1-4-5-6-7-8(9-2)10-3/h6-8H,4-5H2,1-3H3/b7-6+
CH$LINK: INCHIKEY
OSVRJMZINDGZFB-VOTSOKGWSA-N
CH$LINK: COMPTOX
DTXSID90885025
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$SPLASH: splash10-0229-9400000000-22c85836a3bc85149cc5
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
15 1.63 16
27 5.69 57
29 7.53 75
31 2.19 22
39 11.28 113
40 1.23 12
41 25.2 252
42 2.18 22
43 2.06 21
45 8.06 81
47 3.64 36
51 1.35 14
53 4.16 42
54 1.51 15
55 11.4 114
56 1.76 18
57 1.16 12
58 1.27 13
59 3.59 36
67 2.18 22
68 1.16 12
69 11.04 110
71 99.99 999
72 4.6 46
75 34.61 346
76 1.01 10
77 1.01 10
79 2.25 23
81 7.08 71
82 1.09 11
84 4.26 43
85 1.89 19
88 2.82 28
97 2.48 25
101 39.39 394
102 3.27 33
112 1.29 13
113 71.35 714
114 5.53 55
115 17.36 174
116 1.04 10
143 2.04 20
//
system version 2.2.8-SNAPSHOT