MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011772
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011772
RECORD_TITLE: TETRAPROPOXYMETHANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: TETRAPROPOXYMETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H28O4
CH$EXACT_MASS: 248.19876
CH$SMILES: CCCOC(OCCC)(OCCC)OCCC
CH$IUPAC: InChI=1S/C13H28O4/c1-5-9-14-13(15-10-6-2,16-11-7-3)17-12-8-4/h5-12H2,1-4H3
CH$LINK: INCHIKEY
LFMXSZSVDQJYDU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID30338328
AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-06rf-9700000000-03c15dc78feeee303cac
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
27 18.13 181
29 8.86 89
30 1.44 14
31 8.25 83
39 4.95 50
40 1.17 12
41 25.11 251
42 8.41 84
43 86.48 865
44 3.07 31
59 7.63 76
61 1.23 12
63 88.93 889
64 1.18 12
76 2.68 27
104 1.27 13
105 67.03 670
106 3.08 31
147 24.47 245
148 1.93 19
189 99.99 999
190 11.61 116
191 1.42 14
//