MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002577
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002577
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$NAME: PROPIOPHENONE
CH$NAME: ETHYL PHENYL KETONE
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 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: splash10-0a4i-6900000000-d7f1dd2a42332aa8bb1a
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
27 4.53 45
28 1.18 12
29 3.47 35
38 1.01 10
39 2.09 21
50 5.93 59
51 18.73 187
52 1.36 14
55 1.02 10
57 1.02 10
74 1.74 17
75 1.32 13
77 49.88 499
78 4.08 41
105 99.99 999
106 8.04 80
133 1.1 11
134 20.82 208
135 2.11 21
//