MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005293
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005293
RECORD_TITLE: 5-METHYL-2-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$NAME: 5-METHYL-2-FURFURAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H6O2
CH$EXACT_MASS: 110.03678
CH$SMILES: O=Cc(c1)oc(C)c1
CH$IUPAC: InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3
CH$LINK: COMPTOX
DTXSID1060714
CH$LINK: INCHIKEY
OUDFNZMQXZILJD-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:12097
AC$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: splash10-0nmi-8900000000-5ccf71472dd6f90fd628
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
14 1.07 11
15 3.45 35
26 4.88 49
27 25.59 256
28 2.5 25
29 6.78 68
37 3.57 36
38 5.35 54
39 13.57 136
41 1.07 11
42 2.26 23
43 10.36 104
49 2.38 24
50 10.12 101
51 12.97 130
52 6.9 69
53 52.5 525
54 4.76 48
55 1.19 12
79 2.14 21
80 1.66 17
81 10.71 107
82 1.07 11
95 3.21 32
96 2.02 20
109 86.42 864
110 99.99 999
111 7.02 70
//