MassBank Record: MSBNK-Kazusa-KZ000132
ACCESSION: MSBNK-Kazusa-KZ000132
RECORD_TITLE: Ethanolamine; GC-EI-TOF; MS; 3 TMS; BP:174
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_05030_P000028
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: KEGG
C00189
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 0.0000
AC$CHROMATOGRAPHY: RETENTION_TIME 529.563 sec
MS$FOCUSED_ION: BASE_PEAK 174
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-1900000000-384c99d021f0303a9d78
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
83 2 2
84 5 5
85 8 8
86 344 344
87 40 40
88 19 19
89 11 11
90 1 1
96 1 1
98 2 2
99 5 5
100 344 344
101 48 48
102 31 31
103 18 18
104 3 3
105 5 5
112 1 1
113 9 9
114 40 40
115 17 17
116 18 18
117 27 27
118 5 5
119 11 11
120 1 1
121 1 1
128 1 1
129 4 4
130 49 49
131 43 43
132 12 12
133 92 92
134 13 13
135 7 7
136 1 1
142 1 1
143 1 1
144 8 8
145 2 2
146 7 7
147 168 168
148 27 27
149 13 13
150 1 1
158 7 7
159 2 2
160 1 1
171 1 1
172 19 19
173 5 5
174 999 999
175 175 175
176 76 76
177 9 9
178 1 1
187 1 1
188 9 9
189 2 2
190 1 1
204 2 2
262 11 11
263 3 3
264 1 1
//
system version 2.2.6-SNAPSHOT