MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008054
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008054
RECORD_TITLE: FURFURYL 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$NAME: FURFURYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8O3
CH$EXACT_MASS: 140.04734
CH$SMILES: CC(=O)OCc(c1)occ1
CH$IUPAC: InChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3
CH$LINK: INCHIKEY
CKOYRRWBOKMNRG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7025346
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0f8d-9100000000-92f20da69e1b9395abe5
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
27 6.25 63
39 2.27 23
41 5.49 55
42 3.6 36
43 42.05 421
44 1.7 17
51 1.52 15
52 43.18 432
53 27.08 271
54 1.52 15
55 1.89 19
61 2.08 21
69 5.11 51
70 4.17 42
79 1.33 13
80 24.05 241
81 99.99 999
82 6.06 61
95 1.14 11
97 12.12 121
98 76.14 761
99 4.55 46
104 2.84 28
140 54.92 549
141 4.73 47
//