MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006282
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006282
RECORD_TITLE: DL-2-PHENYLPROPIONALDEHYDE; 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$NAME: DL-2-PHENYLPROPIONALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O
CH$EXACT_MASS: 134.07316
CH$SMILES: O=CC(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3
CH$LINK: CAS
34713-70-7
CH$LINK: INCHIKEY
IQVAERDLDAZARL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0052629
AC$INSTRUMENT: HITACHI M-80
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: splash10-0a6r-9600000000-85890c61593be7948030
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
14 2.29 23
15 5.32 53
29 35.54 355
30 1.23 12
31 10.94 109
32 9.72 97
37 0.92 9
38 3.07 31
39 12.23 122
40 1.07 11
41 1.14 11
43 1.33 13
50 9.87 99
51 20.16 202
52 3.86 39
53 2.39 24
61 1.12 11
62 3.05 31
63 8.39 84
64 1.52 15
65 4.37 44
66 0.51 5
73 0.64 6
74 4.1 41
75 3.04 30
76 2.74 27
77 29.39 294
78 11.26 113
79 20.68 207
80 1.28 13
89 3.05 31
90 1.23 12
91 12.78 128
92 1.11 11
101 0.56 6
102 3.36 34
103 20.49 205
104 9.88 99
105 99.99 999
106 10.42 104
107 0.8 8
132 2.27 23
133 0.27 3
134 14.62 146
135 1.46 15
//
system version 2.2.6-SNAPSHOT