MassBank Record: MSBNK-RIKEN-PR010111
ACCESSION: MSBNK-RIKEN-PR010111
RECORD_TITLE: Indole-3-carboxyaldehyde; GC-EI-TOF; MS; 1 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
CH$NAME: Indole-3-carboxyaldehyde
CH$NAME: Indole-3-carboxaldehyde
CH$NAME: Indole-3-carbaldehyde
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C9H7NO
CH$EXACT_MASS: 145.05276
CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C=O
CH$IUPAC: InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
CH$LINK: CAS
487-89-8
CH$LINK: KEGG
C08493
CH$LINK: NIKKAJI
J26.057F
CH$LINK: PUBCHEM 10686
CH$LINK: INCHIKEY
OLNJUISKUQQNIM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5060069
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: RETENTION_INDEX 1934.5
AC$CHROMATOGRAPHY: RETENTION_TIME 468.307 sec
MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C12H15NOSi
MS$FOCUSED_ION: DERIVATIVE_MASS 217.09229
MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9430000000-868873ec5dc494bef752
PK$NUM_PEAK: 120
PK$PEAK: m/z int. rel.int.
60 6 6
61 7 7
62 19 19
63 24 24
64 8 8
65 7 7
66 5 5
67 5 5
69 1 1
70 8 8
71 4 4
72 10 10
73 999 999
74 90 90
75 55 55
76 13 13
77 18 18
78 5 5
79 5 5
80 1 1
83 3 3
84 17 17
85 3 3
86 5 5
87 10 10
88 29 29
89 80 80
90 11 11
91 16 16
92 4 4
93 3 3
94 1 1
98 1 1
99 1 1
100 3 3
101 21 21
102 11 11
103 28 28
104 10 10
105 12 12
106 2 2
107 1 1
113 1 1
114 32 32
115 85 85
116 38 38
117 17 17
118 5 5
119 5 5
120 2 2
127 2 2
128 16 16
129 10 10
130 44 44
131 15 15
132 11 11
133 4 4
134 3 3
135 1 1
140 1 1
141 6 6
142 42 42
143 33 33
144 17 17
145 11 11
146 17 17
147 5 5
148 2 2
154 1 1
155 3 3
156 12 12
157 4 4
158 14 14
159 4 4
160 7 7
161 2 2
162 2 2
168 1 1
169 4 4
170 9 9
171 6 6
172 12 12
173 15 15
174 11 11
175 1 1
176 1 1
181 1 1
182 1 1
183 1 1
184 4 4
185 5 5
186 17 17
187 7 7
188 23 23
189 20 20
190 4 4
195 1 1
197 2 2
198 1 1
199 11 11
200 3 3
201 2 2
202 1 1
203 1 1
204 29 29
205 5 5
206 1 1
213 5 5
214 22 22
215 122 122
216 33 33
217 8 8
218 1 1
219 2 2
231 1 1
245 2 2
246 263 263
247 53 53
248 14 14
249 1 1
//