ACCESSION: MSBNK-MSSJ-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
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  205 29440 2
  206 26368 2
  207 601088 36
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  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
//