MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007324
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007324
RECORD_TITLE: FURFURAL; 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$NAME: FURFURAL
CH$NAME: 2-FURANCARBOXALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H4O2
CH$EXACT_MASS: 96.02113
CH$SMILES: O=Cc(c1)occ1
CH$IUPAC: InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
CH$LINK: CAS
98-01-1
CH$LINK: INCHIKEY
HYBBIBNJHNGZAN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1020647
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$SPLASH: splash10-0002-9000000000-34f068d9c1909d5f383c
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
14 1.44 14
25 1.16 12
26 2.24 22
28 5.79 58
29 17.24 172
36 1.6 16
37 10.96 110
38 17.95 180
39 64.48 645
40 6.53 65
41 1.65 17
42 5.29 53
49 1.71 17
50 2.63 26
51 2.7 27
53 1.74 17
66 1.25 13
67 5.55 56
68 1.35 14
95 90.41 904
96 99.99 999
97 6.24 62
//