MassBank Record: MSJ00070



 2,2'-Dithiodiethanol; FAB-BE; MS; Positive; Matrix 2,2'-Dithiodiethanol 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MSJ00070
RECORD_TITLE: 2,2'-Dithiodiethanol; FAB-BE; MS; Positive; Matrix 2,2'-Dithiodiethanol
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$NAME: 2,2'-Dithiodiethanol CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C4H10O2S2 CH$EXACT_MASS: 154.01222 CH$SMILES: OCCSSCCO CH$IUPAC: InChI=1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2 CH$LINK: CHEMSPIDER 15117 CH$LINK: INCHIKEY KYNFOMQIXZUKRK-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:15906 CH$LINK: COMPTOX DTXSID4044404
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$MASS_SPECTROMETRY: MATRIX 2,2'-Dithiodiethanol AC$MASS_SPECTROMETRY: RESOLUTION_SETTING 2000 AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 1, 2000
PK$SPLASH: splash10-0zg4-4911000000-ce47deed42d982d03725 PK$NUM_PEAK: 97 PK$PEAK: m/z int. rel.int. 27 28576 32 29 34336 38 31 10368 12 39 18800 21 41 89104 100 42 10592 12 43 115104 129 45 92240 103 47 14352 16 49 10992 12 53 9584 11 55 101968 114 56 13184 15 57 128848 144 59 30880 35 60 26960 30 61 73552 82 64 13280 15 67 33728 38 68 9568 11 69 103104 115 70 10896 12 71 83200 93 75 25200 28 76 18656 21 77 16336 18 78 12912 14 79 61920 69 81 38128 43 83 29808 33 85 11952 13 89 24496 27 91 69168 77 92 132624 148 93 52208 58 94 13248 15 95 24368 27 97 16112 18 99 15184 17 103 18512 21 104 10352 12 105 40320 45 107 28096 31 108 9600 11 109 220464 247 110 38800 43 111 23584 26 113 10144 11 123 24720 28 133 10912 12 135 51008 57 136 22432 25 137 690128 772 138 47168 53 139 68624 77 141 40320 45 149 714752 799 150 84672 95 151 12400 14 152 12320 14 153 28288 32 154 893440 999 155 282768 316 156 94576 106 157 26944 30 167 15136 17 169 18192 20 171 15024 17 181 10464 12 186 11040 12 187 18976 21 197 9744 11 199 32592 36 213 8976 10 231 266720 298 232 27040 30 233 38560 43 261 66528 74 262 17520 20 263 52944 59 265 10400 12 271 10768 12 277 10736 12 279 16720 19 291 12720 14 309 104896 117 310 13776 15 311 21472 24 335 12832 14 351 20304 23 363 13152 15 364 14832 17 389 12944 14 391 393792 440 392 109696 123 393 22448 25 544 10384 12 //

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