MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002122
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002122
RECORD_TITLE: CINNAMALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: CINNAMALDEHYDE
CH$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$LINK: INCHIKEY
KJPRLNWUNMBNBZ-QPJJXVBHSA-N
CH$LINK: COMPTOX
DTXSID6024834
AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0f89-5900000000-540c43f6893b35e8a105
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
27 3.55 36
28 3.68 37
29 2.26 23
31 6.45 65
39 3.87 39
44 3.22 32
45 3.61 36
50 7.74 77
51 26.43 264
52 5.8 58
55 1.29 13
62 1.35 14
63 3.87 39
74 3.09 31
75 2.97 30
76 3.87 39
77 34.75 348
78 21.28 213
91 1.68 17
102 6.32 63
103 46.42 464
104 15.34 153
105 2.58 26
131 99.99 999
132 50.68 507
133 4.45 45
//