MassBank Record: MSBNK-MSSJ-MSJ00064
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
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
//
system version 2.2.6-SNAPSHOT