MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007347
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007347
RECORD_TITLE: (E)-3-PHENYL-2-PROPENAL; 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$NAME: (E)-3-PHENYL-2-PROPENAL
CH$NAME: TRANS-CINNAMALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H8O
CH$EXACT_MASS: 132.05751
CH$SMILES: O=CC=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
CH$LINK: CAS
14371-10-9
CH$LINK: INCHIKEY
KJPRLNWUNMBNBZ-QPJJXVBHSA-N
CH$LINK: COMPTOX
DTXSID6024834
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$SPLASH: splash10-0f89-6900000000-ecaba4b9d657020c3f4c
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
26 1.56 16
27 5.18 52
28 2.98 30
29 2.76 28
37 1.34 13
38 2.84 28
39 8.02 80
49 1.27 13
50 14.96 150
51 36.82 368
51.5 2.27 23
52 10.06 101
53 1.7 17
54 1.7 17
55 1.7 17
61 1.56 16
62 3.55 36
63 8.16 82
64 1.13 11
65 1.54 15
65.5 1.27 13
66 2.48 25
73 1.13 11
74 6.95 70
75 6.31 63
76 7.88 79
77 45.11 451
78 31.99 320
79 1.91 19
87 1 10
89 1.41 14
91 2.69 27
98 1.06 11
101 1.84 18
102 9.93 99
103 56.03 560
104 31.21 312
105 3.47 35
115 1.06 11
130 1.35 14
131 99.99 999
132 93.19 932
133 9.22 92
//