MassBank Record: PR010147



 Diethanolamine; GC-EI-TOF; MS; 3 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010147
RECORD_TITLE: Diethanolamine; 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$NAME: Diethanolamine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C4H11NO2 CH$EXACT_MASS: 105.07898 CH$SMILES: OCCNCCO CH$IUPAC: InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2 CH$LINK: CAS 111-42-2 CH$LINK: CHEBI 28123 CH$LINK: KEGG C06772 CH$LINK: NIKKAJI J808G CH$LINK: PUBCHEM 8992
AC$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 1424.8 AC$CHROMATOGRAPHY: RETENTION_TIME 384.685 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C13H35NO2Si3 MS$FOCUSED_ION: DERIVATIVE_MASS 321.19756 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9430000000-79f7d3e25a715793917a PK$NUM_PEAK: 86 PK$PEAK: m/z int. rel.int. 60 20 20 61 24 24 62 2 2 63 2 2 66 10 10 67 1 1 68 1 1 69 1 1 70 195 195 71 21 21 72 29 29 73 999 999 74 93 93 75 90 90 76 8 8 77 26 26 78 2 2 79 5 5 83 1 1 84 4 4 85 5 5 86 76 76 87 18 18 88 28 28 89 22 22 90 2 2 91 1 1 92 1 1 98 3 3 99 3 3 100 45 45 101 45 45 102 29 29 103 42 42 104 5 5 105 5 5 112 1 1 113 1 1 114 10 10 115 15 15 116 18 18 117 19 19 118 3 3 119 12 12 120 1 1 121 1 1 126 1 1 128 11 11 129 5 5 130 187 187 131 41 41 132 14 14 133 50 50 134 8 8 135 4 4 140 1 1 142 12 12 143 2 2 144 25 25 145 4 4 146 15 15 147 99 99 148 16 16 149 9 9 150 1 1 158 4 4 159 1 1 160 2 2 163 1 1 172 2 2 174 6 6 175 1 1 188 2 2 189 1 1 202 1 1 216 2 2 217 1 1 218 479 479 219 100 100 220 44 44 221 7 7 222 1 1 232 1 1 233 2 2 306 2 2 321 1 1 //