MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004792
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004792
RECORD_TITLE: PROPIOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: PROPIOPHENONE
CH$NAME: 1-PHENYL-1-PROPANONE
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$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0a4i-5900000000-abf641e4be97c713405f
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
50 3.89 39
51 13.91 139
52 1.13 11
74 1.14 11
76 1.72 17
77 45.43 454
78 3.65 37
105 99.99 999
106 8.04 80
134 11.08 111
135 1.1 11
//