MassBank Record: MSBNK-RIKEN-PR010110
ACCESSION: MSBNK-RIKEN-PR010110
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$CHROMATOGRAPHY: RETENTION_INDEX 1892.5
AC$CHROMATOGRAPHY: RETENTION_TIME 459.826 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-9430000000-252f37d7921252e01ac0
PK$NUM_PEAK: 121
PK$PEAK: m/z int. rel.int.
60 7 7
61 8 8
62 20 20
63 24 24
64 8 8
65 7 7
66 4 4
67 5 5
69 1 1
70 7 7
71 5 5
72 10 10
73 999 999
74 89 89
75 55 55
76 14 14
77 18 18
78 5 5
79 7 7
80 1 1
81 1 1
83 3 3
84 17 17
85 4 4
86 5 5
87 10 10
88 29 29
89 72 72
90 10 10
91 16 16
92 4 4
93 3 3
94 1 1
95 1 1
98 1 1
99 1 1
100 3 3
101 20 20
102 11 11
103 28 28
104 9 9
105 11 11
106 2 2
107 1 1
113 1 1
114 30 30
115 81 81
116 37 37
117 16 16
118 4 4
119 5 5
120 2 2
127 2 2
128 14 14
129 9 9
130 44 44
131 14 14
132 11 11
133 4 4
134 3 3
135 1 1
140 1 1
141 5 5
142 41 41
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 11 11
157 4 4
158 13 13
159 4 4
160 7 7
161 2 2
162 2 2
168 1 1
169 4 4
170 8 8
171 6 6
172 10 10
173 13 13
174 12 12
175 2 2
176 1 1
181 1 1
182 1 1
183 1 1
184 5 5
185 4 4
186 15 15
187 5 5
188 22 22
189 19 19
190 4 4
195 1 1
197 2 2
198 1 1
199 8 8
200 2 2
201 2 2
202 1 1
204 31 31
205 5 5
206 1 1
213 5 5
214 16 16
215 116 116
216 32 32
217 7 7
218 1 1
219 2 2
231 1 1
245 2 2
246 245 245
247 50 50
248 13 13
249 1 1
//