MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002305
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002305
RECORD_TITLE: PHENYLACETONE; 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$NAME: PHENYLACETONE
CH$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$LINK: INCHIKEY
QCCDLTOVEPVEJK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1059280
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$SPLASH: splash10-0006-9100000000-474d8233daf5ed7c2f2a
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
15 1.49 15
32 6.44 64
38 1 10
39 7.03 70
41 1.56 16
43 99.99 999
46 1.57 16
50 1.71 17
51 3.82 38
52 1.07 11
62 1.44 14
63 4.26 43
64 1.16 12
65 13.82 138
66 1.03 10
77 1.76 18
89 3.48 35
90 1.71 17
91 57.25 573
92 24.76 248
93 1.78 18
134 24.06 241
135 2.47 25
//
system version 2.2.8-SNAPSHOT