MassBank Record: MSJ00059



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

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