MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008454
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008454
RECORD_TITLE: HEPTANAL 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$NAME: HEPTANAL DIETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H24O2
CH$EXACT_MASS: 188.17763
CH$SMILES: CCCCCCC(OCC)OCC
CH$IUPAC: InChI=1S/C11H24O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h11H,4-10H2,1-3H3
CH$LINK: INCHIKEY
UGOCNHASEZIJFQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9060996
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$SPLASH: splash10-0ufv-9400000000-8fb7540495be524254b7
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
15 1 10
19 1.11 11
27 14.91 149
28 1.92 19
29 32.19 322
30 1.09 11
31 3.81 38
39 3.68 37
41 17.89 179
42 2.44 24
43 14.1 141
44 8.02 80
45 4.6 46
47 51.27 513
53 1.25 13
55 34.69 347
56 2.05 21
57 12.4 124
58 1.63 16
59 3.38 34
67 1.26 13
69 6.17 62
70 1.05 11
72 3.5 35
73 1.12 11
75 34.91 349
76 1.07 11
85 5.69 57
88 1.93 19
97 18.45 185
98 1.32 13
103 99.99 999
104 4.92 49
113 1.23 12
143 30.05 301
144 2.82 28
//
system version 2.2.8-SNAPSHOT