MassBank Record: MSJ00063



 Diethanolamine; FAB-BE; MS; Negative; Matrix Diethanolamine 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MSJ00063
RECORD_TITLE: Diethanolamine; FAB-BE; MS; Negative; Matrix Diethanolamine
DATE: 2018.02.01
AUTHORS: , Rika Miyake, Graduate School of Engineering Science, Osaka University
LICENSE: CC BY
COPYRIGHT: Rika Miyake, Graduate School of Engineering Science, Osaka University
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
COMMENT: Sample was injected by flow injection

CH$NAME: Diethanolamine CH$NAME: 2,2'-Dihydroxydiethylamine CH$COMPOUND_CLASS: Non-Natural Product CH$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: CHEMSPIDER 13835604 CH$LINK: INCHIKEY ZBCBWPMODOFKDW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:8113 CH$LINK: COMPTOX DTXSID3021932
AC$INSTRUMENT: JMS-700, JEOL AC$INSTRUMENT_TYPE: FAB-BE AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION FAB AC$MASS_SPECTROMETRY: LASER Xe 6 keV AC$MASS_SPECTROMETRY: MATRIX Diethanolamine AC$MASS_SPECTROMETRY: RESOLUTION_SETTING 2000 AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 1, 2000
PK$SPLASH: splash10-0zfr-1950000000-443f4386cb6b8b6c8c9f PK$NUM_PEAK: 116 PK$PEAK: m/z int. rel.int. 16 2024 7 17 6568 24 25 2824 10 26 19384 70 40 1608 6 41 5048 18 42 4744 17 43 11704 42 45 2856 10 54 2008 7 56 8552 31 57 3048 11 58 2680 10 59 1784 6 68 1912 7 70 4888 18 72 7016 25 74 3464 13 84 3528 13 86 9528 35 87 4088 15 88 7640 28 100 3496 13 101 7592 28 102 51384 186 103 3096 11 104 275624 999 105 13400 49 107 12216 44 116 1832 7 118 5880 21 120 1448 5 129 2504 9 130 4872 18 131 31928 116 132 47752 173 133 3736 14 134 1912 7 135 3800 14 143 1432 5 144 2776 10 146 1880 7 147 7208 26 148 29272 106 149 2456 9 150 5976 22 151 1576 6 159 9384 34 160 4152 15 161 3784 14 162 77448 281 163 7224 26 164 1944 7 174 1704 6 175 2584 9 176 4520 16 177 1928 7 178 2360 9 187 1832 7 190 2088 8 191 3576 13 192 3304 12 193 3560 13 203 2600 9 204 3096 11 205 54088 196 206 7640 28 207 11736 43 208 9576 35 209 141352 512 210 15688 57 211 1816 7 212 3720 13 223 2088 8 231 3000 11 232 2184 8 234 3176 12 235 5608 20 236 8632 31 237 34056 123 238 3128 11 240 2264 8 249 3960 14 251 3576 13 252 2168 8 253 7608 28 264 1896 7 265 6392 23 266 2744 10 267 12680 46 268 2856 10 280 1592 6 281 3768 14 283 1592 6 292 1448 5 294 1768 6 295 6824 25 296 2072 8 309 2552 9 310 4520 16 312 1624 6 313 3608 13 314 11368 41 315 2040 7 336 3208 12 338 2952 11 339 1720 6 341 1672 6 342 4712 17 354 2632 10 358 1544 6 368 4728 17 369 1752 6 370 1512 5 372 2376 9 419 1672 6 //

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