MassBank Record: MSJ00064



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

ACCESSION: MSJ00064
RECORD_TITLE: Diethanolamine; FAB-BE; MS; Positive; 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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$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$SPLASH: splash10-0a4i-1920000000-f23443d05c4c33be6391 PK$NUM_PEAK: 97 PK$PEAK: m/z int. rel.int. 18 23808 1 27 37632 2 28 80640 5 29 30464 2 30 219392 13 31 24064 1 41 37632 2 42 120576 7 43 39168 2 44 429568 26 45 268032 16 54 16896 1 55 20224 1 56 299008 18 57 41216 2 58 140032 8 60 104448 6 61 31488 2 62 141824 8 68 25856 2 70 373504 22 71 22272 1 72 82688 5 74 446208 27 75 19968 1 76 17664 1 86 136448 8 87 93696 6 88 566016 34 89 52224 3 90 19968 1 98 95744 6 100 40960 2 103 23552 1 104 706560 42 105 44544 3 106 16776960 999 107 966144 58 108 96256 6 114 22784 1 116 410112 24 117 27392 2 118 250368 15 119 21248 1 120 44032 3 128 27904 2 129 103936 6 130 45568 3 132 21760 1 134 35584 2 144 23040 1 148 17664 1 150 25344 2 163 21248 1 164 55808 3 167 22784 1 179 26112 2 180 17408 1 188 17408 1 189 23552 1 191 25856 2 192 21504 1 193 100864 6 195 17152 1 201 29696 2 205 29440 2 206 26368 2 207 601088 36 208 116992 7 209 97280 6 210 22016 1 211 2405376 143 212 238080 14 213 30208 2 230 18944 1 231 161792 10 232 80384 5 233 727552 43 234 95232 6 235 36608 2 236 61440 4 237 33792 2 238 22528 1 239 686848 41 240 75520 4 251 81920 5 254 43264 3 255 62976 4 269 75008 4 312 183808 11 313 31744 2 316 143104 9 317 19456 1 338 64768 4 344 73728 4 421 20480 1 443 21248 1 //

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