MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002456
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002456
RECORD_TITLE: (4S,5S)-4,5-BIS(METHOXYMETHYL)-2,2-DIMETHYL-1,3-DIOXOLANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: (4S,5S)-4,5-BIS(METHOXYMETHYL)-2,2-DIMETHYL-1,3-DIOXOLANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O4
CH$EXACT_MASS: 190.12051
CH$SMILES: COCC([H])(O1)C([H])(COC)OC(C)(C)1
CH$IUPAC: InChI=1S/C9H18O4/c1-9(2)12-7(5-10-3)8(13-9)6-11-4/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
CH$LINK: INCHIKEY
KAQOEQVWUJDLKN-YUMQZZPRSA-N
AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00ov-6900000000-8920d95a5eb2c8ee24f0
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
39 3.2 32
40 2.3 23
41 6.6 66
42 0.32 3
43 57.5 575
44 3.7 37
45 8.7 87
53 0.23 2
55 14.9 149
57 4.6 46
58 17.2 172
59 8.74 87
69 7.1 71
70 1.8 18
71 3.9 39
73 2.18 22
75 3.7 37
83 4.6 46
84 2.3 23
85 2.99 30
86 1.8 18
87 40.2 402
88 1.8 18
95 0.92 9
100 1.8 18
101 1.8 18
113 4.1 41
114 0.23 2
115 62.1 621
116 3.4 34
117 2.8 28
127 0.94 9
143 15.1 151
145 58.6 586
146 8.3 83
175 99.99 999
176 7.8 78
//
system version 2.2.8-SNAPSHOT