MassBank Record: MSBNK-RIKEN-PR010230
ACCESSION: MSBNK-RIKEN-PR010230
RECORD_TITLE: R-(-)-1-Amino-2-propanol; 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$NAME: R-(-)-1-Amino-2-propanol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C3H9NO
CH$EXACT_MASS: 75.06841
CH$SMILES: NCC(C)O
CH$IUPAC: InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m1/s1
CH$LINK: CAS
2799-16-8
CH$LINK: NIKKAJI
J9.255J
CH$LINK: INCHIKEY
HXKKHQJGJAFBHI-GSVOUGTGSA-N
AC$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 1312.8
AC$CHROMATOGRAPHY: RETENTION_TIME 351.012 sec
MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C12H33NOSi3
MS$FOCUSED_ION: DERIVATIVE_MASS 291.18699
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-8900000000-e6b034fd46546c0fb804
PK$NUM_PEAK: 79
PK$PEAK: m/z int. rel.int.
60 22 22
61 18 18
62 1 1
66 8 8
67 1 1
69 1 1
70 14 14
71 11 11
72 27 27
73 999 999
74 91 91
75 55 55
76 4 4
77 4 4
82 1 1
83 2 2
84 7 7
85 10 10
86 273 273
87 46 46
88 13 13
89 3 3
98 3 3
99 5 5
100 140 140
101 33 33
102 42 42
103 14 14
104 3 3
105 4 4
112 4 4
113 8 8
114 117 117
115 26 26
116 22 22
117 58 58
118 9 9
119 15 15
120 2 2
121 1 1
128 21 21
129 6 6
130 48 48
131 39 39
132 11 11
133 122 122
134 18 18
135 9 9
136 1 1
142 1 1
143 1 1
144 10 10
145 3 3
146 4 4
147 119 119
148 19 19
149 9 9
150 1 1
158 7 7
159 3 3
160 2 2
172 7 7
173 2 2
174 561 561
175 112 112
176 57 57
177 7 7
178 1 1
186 3 3
187 1 1
188 13 13
189 3 3
190 1 1
202 6 6
203 1 1
204 2 2
276 13 13
277 3 3
278 1 1
//
system version 2.2.8-SNAPSHOT