MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007739
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007739
RECORD_TITLE: 5-METHYL-2-BUTYRYLFURAN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 5-METHYL-2-BUTYRYLFURAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12O2
CH$EXACT_MASS: 152.08373
CH$SMILES: CCCC(=O)c(c1)oc(C)c1
CH$IUPAC: InChI=1S/C9H12O2/c1-3-4-8(10)9-6-5-7(2)11-9/h5-6H,3-4H2,1-2H3
CH$LINK: INCHIKEY
IFHKZUYQKMDHIN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID60292126
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0ab9-3900000000-02f1807734133db17621
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
27 6.01 60
41 3.86 39
42 6.82 68
43 12.34 123
52 2.12 21
53 26.18 262
54 3.18 32
55 4.25 43
70 1 10
71 1.07 11
81 5.75 58
82 10.1 101
95 4.31 43
108 1.01 10
109 99.99 999
110 9.93 99
111 1.05 11
123 1.64 16
124 61.55 616
125 5.66 57
137 13.48 135
138 1 10
152 21.2 212
//