MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010445
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010445
RECORD_TITLE: (PARA-DIMETHYLAMINO)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$NAME: (PARA-DIMETHYLAMINO)CINNAMALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H13NO
CH$EXACT_MASS: 175.09971
CH$SMILES: O=CC([H])=C([H])c(c1)ccc(N(C)C)c1
CH$IUPAC: InChI=1S/C11H13NO/c1-12(2)11-7-5-10(6-8-11)4-3-9-13/h3-9H,1-2H3/b4-3+
CH$LINK: INCHIKEY
RUKJCCIJLIMGEP-ONEGZZNKSA-N
CH$LINK: COMPTOX
DTXSID9022237
AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-00b9-2900000000-f859df078ddde6541a64
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
15 5.51 55
27 2.24 22
28 1.43 14
29 6.14 61
39 3.2 32
41 1.03 10
42 5.07 51
44 1.45 15
50 2.71 27
51 4.83 48
52 1.38 14
62 1.15 12
63 3.32 33
64 1.15 12
65 1.63 16
72 2.21 22
73 2.68 27
74 1.73 17
75 2.07 21
76 1.87 19
77 6.86 69
78 1.86 19
79 1.08 11
86 1.04 10
89 1.58 16
91 2.09 21
101 1.46 15
102 3.69 37
103 5.29 53
104 2.51 25
105 1.77 18
116 1.02 10
117 1.13 11
118 1.32 13
119 1.47 15
120 10.02 100
121 28.31 283
122 2.61 26
128 1.06 11
129 1.17 12
130 4.74 47
131 8.91 89
132 4.25 43
134 6.48 65
144 3.28 33
145 2.37 24
146 17.83 178
147 11.18 112
148 1.58 16
158 1.56 16
174 20.62 206
175 99.99 999
176 14.45 145
177 1.2 12
//