MassBank Record: MSBNK-Osaka_Univ-OUF00019
ACCESSION: MSBNK-Osaka_Univ-OUF00019
RECORD_TITLE: Ethanolamine; GC-EI-TOF; MS; n TMS; RT:420.944 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.
CH$NAME: 2-Aminoethanol
CH$NAME: Ethanolamine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C2H7NO
CH$EXACT_MASS: 61.05276
CH$SMILES: NCCO
CH$IUPAC: InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2
CH$LINK: CAS
141-43-5
CH$LINK: CHEBI
16000
CH$LINK: CHEMSPIDER
13835336
CH$LINK: INCHIKEY
HZAXFHJVJLSVMW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6022000
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$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 1259.819
AC$CHROMATOGRAPHY: RETENTION_TIME 420.944 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-00di-1900000000-d731dd07c2dfa0287f5f
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
85 10 10
86 378 378
87 46 46
88 28 28
89 16 16
90 2 2
91 1 1
98 3 3
99 7 7
100 393 393
101 56 56
102 62 62
103 28 28
104 5 5
105 7 7
106 1 1
112 1 1
113 10 10
114 53 53
115 27 27
116 26 26
117 36 36
118 9 9
119 16 16
120 2 2
121 1 1
128 2 2
129 5 5
130 67 67
131 57 57
132 17 17
133 116 116
134 17 17
135 9 9
136 1 1
142 2 2
143 2 2
144 11 11
145 4 4
146 8 8
147 213 213
148 34 34
149 17 17
150 2 2
156 1 1
158 12 12
159 4 4
160 3 3
161 1 1
170 1 1
171 1 1
172 25 25
173 7 7
174 999 999
175 183 183
176 83 83
177 10 10
178 2 2
186 1 1
187 2 2
188 14 14
189 4 4
190 3 3
204 3 3
205 1 1
246 1 1
262 18 18
263 5 5
264 2 2
//