MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007141
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007141
RECORD_TITLE: PHENYLACETONE; 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$NAME: PHENYLACETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O
CH$EXACT_MASS: 134.07316
CH$SMILES: CC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
CH$LINK: CAS
103-79-7
CH$LINK: INCHIKEY
QCCDLTOVEPVEJK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1059280
AC$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: splash10-0006-9000000000-f1e53fad0477c0100995
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
15 3.06 31
27 1.57 16
38 1.64 16
39 12.2 122
41 1.82 18
42 1.08 11
43 99.99 999
44 1.69 17
50 2.54 25
51 6.4 64
52 1.54 15
62 2.05 21
63 7.11 71
64 1.59 16
65 16.73 167
77 1.24 12
89 4.62 46
90 1.68 17
91 55.11 551
92 18.17 182
134 17.65 177
135 1.44 14
//
system version 2.2.8-SNAPSHOT