MassBank Record: MSBNK-Kazusa-KZ000211
ACCESSION: MSBNK-Kazusa-KZ000211
RECORD_TITLE: Glycine; 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_01510_P000095
CH$NAME: Glycine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C2H5NO2
CH$EXACT_MASS: 75.03203
CH$SMILES: NCC(O)=O
CH$IUPAC: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
CH$LINK: CAS
56-40-6
CH$LINK: KEGG
C00037
CH$LINK: INCHIKEY
DHMQDGOQFOQNFH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9020667
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 1321.7
AC$CHROMATOGRAPHY: RETENTION_TIME 582.463 sec
MS$FOCUSED_ION: BASE_PEAK 174
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00dj-2900000000-0ef96bcf06ce475afcdd
PK$NUM_PEAK: 79
PK$PEAK: m/z int. rel.int.
82 1 1
83 2 2
84 23 23
85 15 15
86 499 499
87 72 72
88 27 27
89 5 5
93 2 2
95 4 4
98 2 2
99 8 8
100 320 320
101 80 80
102 50 50
103 32 32
104 6 6
105 9 9
106 1 1
112 1 1
113 14 14
114 11 11
115 18 18
116 27 27
117 74 74
118 14 14
119 18 18
120 1 1
121 1 1
128 1 1
129 4 4
130 55 55
131 62 62
132 18 18
133 143 143
134 23 23
135 15 15
136 2 2
142 2 2
143 1 1
144 18 18
145 5 5
146 9 9
147 372 372
148 62 62
149 33 33
150 3 3
151 1 1
158 10 10
159 3 3
160 5 5
161 1 1
172 11 11
173 4 4
174 999 999
175 182 182
176 96 96
177 19 19
178 3 3
179 1 1
187 1 1
188 11 11
189 3 3
190 3 3
191 1 1
192 1 1
202 6 6
203 1 1
204 5 5
205 1 1
246 14 14
247 3 3
248 178 178
249 46 46
250 26 26
251 5 5
276 18 18
277 2 2
278 1 1
//
system version 2.2.6-SNAPSHOT