MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008280
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008280
RECORD_TITLE: BUTYL GLYOXYLATE DIBUTYLACETAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA
CH$NAME: BUTYL GLYOXYLATE DIBUTYLACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H28O4
CH$EXACT_MASS: 260.19876
CH$SMILES: CCCCOC(=O)C(OCCCC)OCCCC
CH$IUPAC: InChI=1S/C14H28O4/c1-4-7-10-16-13(15)14(17-11-8-5-2)18-12-9-6-3/h14H,4-12H2,1-3H3
CH$LINK: COMPTOX
DTXSID50337873
CH$LINK: INCHIKEY
LEQXXBBCRATLPW-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:545227
AC$INSTRUMENT: HITACHI M-60
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: splash10-0a4i-9200000000-7e6a2ab44fe95091f1f0
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
27 4.22 42
28 1.79 18
29 25.08 251
31 1.64 16
39 2.65 27
41 24.66 247
42 1.6 16
43 2.18 22
47 1.78 18
55 3.71 37
56 6.15 62
57 99.99 999
58 6.84 68
103 26.28 263
104 1.55 16
131 1.79 18
159 17.97 180
160 2.13 21
187 0.59 6
188 0.14 1
//
system version 2.2.8-SNAPSHOT