MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009084
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009084
RECORD_TITLE: HEXANAL 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$NAME: HEXANAL ETHYL TRANS-2-HEXENYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H28O2
CH$EXACT_MASS: 228.20893
CH$SMILES: CCCC=CCOC(OCC)CCCCC
CH$IUPAC: InChI=1S/C14H28O2/c1-4-7-9-11-13-16-14(15-6-3)12-10-8-5-2/h9,11,14H,4-8,10,12-13H2,1-3H3/b11-9+
CH$LINK: INCHIKEY
WFWMTYHFABQEGD-PKNBQFBNSA-N
AC$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: splash10-003r-9000000000-ffb6e79eae319b221e42
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
27 12.93 129
29 17.7 177
31 3.15 32
39 9.68 97
41 34.67 347
42 4.57 46
43 19.22 192
44 3.57 36
45 2 20
47 7.19 72
53 2.83 28
54 8.77 88
55 56.04 560
56 4.02 40
57 11.49 115
58 1.09 11
59 2.33 23
67 16.08 161
69 1.56 16
71 3.45 35
72 1.41 14
73 1.19 12
75 12.42 124
81 1.77 18
82 20.52 205
83 99.99 999
84 7.42 74
85 6.8 68
99 6.46 65
101 1.11 11
129 23.39 234
130 1.68 17
139 2.77 28
157 1.59 16
//