MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002958
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002958
RECORD_TITLE: BUTYL GLYOXYLATE DIBUTYLACETAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$LINK: INCHIKEY
LEQXXBBCRATLPW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID50337873
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9200000000-84a451132d538ebc261f
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
27 4.22 42
29 25.08 251
39 2.65 27
41 24.66 247
43 2.18 22
55 3.71 37
56 6.15 62
57 99.99 999
58 6.84 68
103 26.28 263
159 17.97 180
160 2.13 21
//
system version 2.2.8-SNAPSHOT