MassBank Record: MSBNK-MSSJ-MSJ00059
ACCESSION: MSBNK-MSSJ-MSJ00059
RECORD_TITLE: Glycerol; FAB-BE; MS; Negative; Matrix Glycerol
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$NAME: Glycerol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C3H8O3
CH$EXACT_MASS: 92.04734
CH$SMILES: OCC(O)CO
CH$IUPAC: InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
CH$LINK: CHEMSPIDER
733
CH$LINK: INCHIKEY
PEDCQBHIVMGVHV-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:753
CH$LINK: COMPTOX
DTXSID9020663
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$MASS_SPECTROMETRY: MATRIX Glycerol
AC$MASS_SPECTROMETRY: RESOLUTION_SETTING 2000
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 1, 2000
PK$SPLASH: splash10-001l-9820000000-cb1c868d0c83e9ff1edc
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
16 23296 10
17 48960 22
25 24256 11
41 34432 15
43 49408 22
45 39104 17
55 20864 9
58 67584 30
59 409216 182
60 11392 5
69 12288 5
70 14528 6
71 251712 112
72 42688 19
73 93952 42
75 29952 13
86 11904 5
87 67776 30
88 78720 35
89 390848 173
90 15360 7
91 1919936 852
92 73152 32
93 14528 6
105 15424 7
109 20544 9
119 11648 5
137 65024 29
147 28608 13
149 15424 7
150 46464 21
151 107712 48
153 30336 13
161 13824 6
163 65856 29
164 67648 30
165 53760 24
167 14272 6
179 47936 21
180 35776 16
181 262656 117
182 15232 7
183 2251200 999
184 166976 74
185 40768 18
195 22400 10
211 31936 14
225 40512 18
229 11584 5
237 24512 11
239 77056 34
240 13696 6
241 14592 6
243 22656 10
245 11712 5
255 56320 25
256 35072 16
257 19264 9
265 13184 6
271 35456 16
273 68096 30
275 314752 140
276 27328 12
277 15808 7
279 26944 12
317 16064 7
323 13440 6
329 13184 6
331 17984 8
347 16192 7
363 14080 6
365 15488 7
367 49728 22
459 14784 7
//