MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002542
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002542
RECORD_TITLE: PHENYL PROPIONATE; 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$NAME: PHENYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O2
CH$EXACT_MASS: 150.06808
CH$SMILES: CCC(=O)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C9H10O2/c1-2-9(10)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3
CH$LINK: INCHIKEY
DYUMLJSJISTVPV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7060916
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$SPLASH: splash10-0006-9000000000-8ac4d8493feadaac5cc2
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
26 1.56 16
27 8.68 87
28 3.57 36
29 39.54 395
38 2.65 27
39 12.51 125
40 2.09 21
50 1.74 17
51 4.11 41
55 2.45 25
56 2.71 27
57 48.52 485
58 1.54 15
63 2.44 24
64 1.21 12
65 9.27 93
66 6.28 63
77 5.37 54
93 1 10
94 99.99 999
95 7.4 74
150 19.91 199
151 2.03 20
//
system version 2.2.8-SNAPSHOT