MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008641
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008641
RECORD_TITLE: HEXANAL 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$NAME: HEXANAL DIETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H22O2
CH$EXACT_MASS: 174.16198
CH$SMILES: CCCCCC(OCC)OCC
CH$IUPAC: InChI=1S/C10H22O2/c1-4-7-8-9-10(11-5-2)12-6-3/h10H,4-9H2,1-3H3
CH$LINK: INCHIKEY
WNHOMUCDFNTSEV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0052045
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$SPLASH: splash10-0fb9-9300000000-861aea6444feccb324ea
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
15 1.72 17
18 2.32 23
19 1.93 19
26 1.44 14
27 23.03 230
28 3.07 31
29 45.54 455
30 1.32 13
31 6.28 63
39 4.8 48
41 20.37 204
42 4.83 48
43 13.3 133
44 13.19 132
45 6.1 61
47 65.98 660
53 1.4 14
55 35.11 351
56 2.68 27
57 9.03 90
58 1.76 18
59 4.65 47
70 1.23 12
71 1.15 12
72 6.19 62
75 40.87 409
76 1.21 12
83 34.27 343
84 1.77 18
85 3.34 33
101 1.42 14
103 99.99 999
104 4.41 44
129 38.83 388
130 3.03 30
//
system version 2.2.8-SNAPSHOT