MassBank Record: MSBNK-MSSJ-MSJ00060
ACCESSION: MSBNK-MSSJ-MSJ00060
RECORD_TITLE: Glycerol; FAB-BE; MS; Positive; 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 POSITIVE
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: splash10-000f-9510000000-519ba94afdaaf53bffa5
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
19 11004 42
27 3068 12
28 1948 7
29 12844 49
31 9932 38
39 1692 6
41 3004 11
42 1388 5
43 12844 49
44 2988 11
45 42108 161
47 3228 12
55 3116 12
56 4924 19
57 64364 245
58 4572 17
59 2492 9
60 2012 8
61 6620 25
71 1436 5
72 1772 7
73 9596 37
74 11852 45
75 145324 554
76 4924 19
87 2428 9
90 2524 10
91 2540 10
93 262076 999
94 9148 35
95 1964 7
99 2796 11
101 1980 8
103 5196 20
115 1548 6
117 21420 82
118 1900 7
119 10732 41
129 7644 29
131 12604 48
132 1372 5
133 2604 10
135 4396 17
145 2172 8
147 5788 22
148 2124 8
149 105612 403
150 8492 32
151 1724 7
165 6940 26
166 1772 7
185 200300 764
186 14444 55
187 3708 14
197 1564 6
227 3084 12
239 1484 6
241 47052 179
242 4252 16
243 1388 5
257 2924 11
275 1756 7
277 12924 49
278 1676 6
297 6588 25
313 1740 7
319 1468 6
331 1324 5
333 3820 15
369 2332 9
//