MassBank Record: MSJ00060



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

ACCESSION: 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$LINK: PUBCHEM CID:753
AC$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 //