MassBank Record: MSBNK-RIKEN-PR010014
ACCESSION: MSBNK-RIKEN-PR010014
RECORD_TITLE: Glycine; GC-EI-TOF; MS; 3 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$NAME: Glycine
CH$NAME: Aminoacetic acid
CH$NAME: Gly
CH$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: CHEBI
15428
CH$LINK: CHEMPDB GLY
CH$LINK: KEGG
C00037
CH$LINK: NIKKAJI
J1.163K
CH$LINK: PUBCHEM 3339
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$CHROMATOGRAPHY: RETENTION_INDEX 1302.3
AC$CHROMATOGRAPHY: RETENTION_TIME 316.441 sec
MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C11H29NO2Si3
MS$FOCUSED_ION: DERIVATIVE_MASS 291.15061
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-7910000000-6c972a683dfb75b69331
PK$NUM_PEAK: 84
PK$PEAK: m/z int. rel.int.
60 17 17
61 11 11
66 10 10
67 1 1
69 1 1
70 11 11
71 9 9
72 25 25
73 999 999
74 86 86
75 50 50
76 3 3
77 10 10
83 1 1
84 8 8
85 7 7
86 399 399
87 41 41
88 16 16
89 2 2
95 2 2
98 1 1
99 4 4
100 221 221
101 44 44
102 30 30
103 14 14
104 2 2
105 4 4
113 6 6
114 6 6
115 9 9
116 13 13
117 38 38
118 7 7
119 12 12
120 1 1
121 1 1
128 1 1
129 3 3
130 39 39
131 42 42
132 12 12
133 116 116
134 17 17
135 9 9
136 1 1
142 1 1
143 1 1
144 10 10
145 3 3
146 5 5
147 319 319
148 49 49
149 24 24
150 2 2
158 12 12
159 4 4
160 7 7
161 2 2
172 7 7
173 2 2
174 750 750
175 148 148
176 73 73
177 15 15
178 2 2
188 7 7
189 2 2
190 2 2
202 3 3
203 1 1
204 4 4
205 1 1
246 11 11
247 4 4
248 146 146
249 42 42
250 20 20
251 4 4
276 49 49
277 13 13
278 6 6
279 1 1
//
system version 2.2.6-SNAPSHOT