MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007142
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007142
RECORD_TITLE: PROPIOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$LINK: CAS
93-55-0
CH$LINK: INCHIKEY
KRIOVPPHQSLHCZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2044470
AC$INSTRUMENT: HITACHI M-80B
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-6900000000-d26de44f3cfd2a7ab948
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
27 4.52 45
29 2.21 22
38 1.03 10
39 1.71 17
50 5.21 52
51 18.19 182
52 1.23 12
57 1.12 11
63 1.03 10
74 1.68 17
75 1.44 14
76 2.34 23
77 46.59 466
78 3.82 38
105 99.99 999
106 7.84 78
133 1 10
134 16.72 167
135 1.67 17
//