MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011325
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011325
RECORD_TITLE: TRIETHYL ORTHOACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: TRIETHYL ORTHOACETATE
CH$NAME: 1,1,1-TRIETHOXYETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18O3
CH$EXACT_MASS: 162.12559
CH$SMILES: CCOC(C)(OCC)OCC
CH$IUPAC: InChI=1S/C8H18O3/c1-5-9-8(4,10-6-2)11-7-3/h5-7H2,1-4H3
CH$LINK: CAS
78-39-7
CH$LINK: INCHIKEY
NDQXKKFRNOPRDW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4058815
AC$INSTRUMENT: HITACHI M-2500
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 12 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-029w-9100000000-857781ce2e5283669525
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
18 10.6 106
28 3.94 39
29 9.36 94
30 2.83 28
31 75 750
32 4.2 42
42 6.16 62
43 83.43 834
44 3.39 34
45 99.99 999
46 42.66 427
47 1.54 15
59 1.45 15
60 43.13 431
61 52.01 520
62 1.59 16
70 21.21 212
71 1.59 16
72 3.11 31
73 11.73 117
75 1.18 12
82 1.67 17
87 10.76 108
88 11.63 116
89 26.51 265
90 1.29 13
91 1.27 13
102 1.52 15
103 1.48 15
105 2.26 23
116 86.23 862
117 7.97 80
118 1.02 10
119 1.48 15
123 1.65 17
128 1.3 13
134 4.56 46
//
system version 2.2.8-SNAPSHOT