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
//