MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008650
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008650
RECORD_TITLE: HEXANAL ETHYL HEXYL 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$NAME: HEXANAL ETHYL HEXYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H30O2
CH$EXACT_MASS: 230.22458
CH$SMILES: CCCCCCOC(OCC)CCCCC
CH$IUPAC: InChI=1S/C14H30O2/c1-4-7-9-11-13-16-14(15-6-3)12-10-8-5-2/h14H,4-13H2,1-3H3
CH$LINK: INCHIKEY
DQPCKTBYQXJOFX-UHFFFAOYSA-N
AC$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: splash10-004l-9100000000-c8b2afb69f5145e80c63
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
27 18.91 189
29 30.55 306
31 9.14 91
39 7.88 79
41 36.56 366
42 11.55 116
43 92.4 924
44 7 70
45 3.94 39
47 24.95 250
53 1.76 18
54 1.02 10
55 32.36 324
56 14 140
57 37.77 378
58 2.39 24
59 3.21 32
67 2.19 22
69 2.76 28
71 3.88 39
72 2.8 28
75 99.99 999
76 2.84 28
81 1.05 11
82 5.19 52
83 31.8 318
84 2.76 28
85 25.4 254
86 1.53 15
99 1.64 16
100 1.3 13
101 9.91 99
128 1.71 17
129 47.28 473
130 3.49 35
159 22.29 223
160 1.97 20
184 1.2 12
185 4.44 44
//