MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004119
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004119
RECORD_TITLE: PROPIOPHENONE; 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$NAME: PROPIOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O
CH$EXACT_MASS: 134.07316
CH$SMILES: CCC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
CH$LINK: INCHIKEY
KRIOVPPHQSLHCZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2044470
AC$INSTRUMENT: HITACHI M-68
AC$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$SPLASH: splash10-0a4i-4900000000-416230789be4145ce902
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
27 2.5 25
29 1.8 18
39 1 10
43 1.5 15
50 4.2 42
51 10.5 105
74 1.4 14
75 0.1 1
76 1.4 14
77 30 300
78 2.6 26
105 99.99 999
106 9.8 98
107 0.7 7
133 0.6 6
134 1.4 14
135 5.4 54
//