MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008899
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008899
RECORD_TITLE: TETRAHYDROFURFURYL ACETATE; 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$NAME: TETRAHYDROFURFURYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12O3
CH$EXACT_MASS: 144.07864
CH$SMILES: CC(=O)OCC(C1)OCC1
CH$IUPAC: InChI=1S/C7H12O3/c1-6(8)10-5-7-3-2-4-9-7/h7H,2-5H2,1H3
CH$LINK: INCHIKEY
AAQDYYFAFXGBFZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID30862335
AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-00di-9000000000-b13249bb1064320d2085
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
14 1.4 14
15 9.5 95
26 1.4 14
27 1.54 15
28 2.4 24
29 7 70
31 3.4 34
39 0.89 9
40 1.9 19
41 22 220
42 9.5 95
43 6.15 62
44 2.4 24
53 1.4 14
54 2.4 24
55 0.34 3
56 1.4 14
57 1.1 11
70 2.3 23
71 99.99 999
72 5.1 51
73 1.5 15
74 1.1 11
93 0.12 1
94 13.6 136
95 1.8 18
//