MassBank Record: MSJ00069



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

ACCESSION: MSJ00069
RECORD_TITLE: 2,2'-Dithiodiethanol; FAB-BE; MS; Negative; 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 NEGATIVE 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: splash10-057i-8981100000-b6b0ce87bc76bb265acc PK$NUM_PEAK: 103 PK$PEAK: m/z int. rel.int. 17 10320 12 25 13872 16 32 39264 45 33 70016 81 57 18560 21 59 25936 30 61 11712 14 64 67664 78 65 40432 47 66 8992 10 73 10224 12 74 90240 104 75 225904 261 76 137712 159 77 864224 999 78 32864 38 79 43488 50 80 12576 15 91 11312 13 93 11344 13 96 31024 36 97 11168 13 106 13648 16 107 58336 67 108 25856 30 109 755424 873 110 43520 50 111 63968 74 121 25104 29 122 13872 16 123 16880 20 125 21776 25 127 17744 21 135 11392 13 141 100144 116 142 9280 11 143 16064 19 151 92400 107 152 75856 88 153 143360 166 154 168064 194 155 27424 32 156 13904 16 173 18512 21 183 17552 20 185 23760 27 186 17248 20 187 56144 65 189 12544 15 197 11872 14 199 10368 12 213 9408 11 215 10656 12 218 25472 29 227 20496 24 228 19664 23 229 25408 29 230 24896 29 231 575728 666 232 64112 74 233 50256 58 241 13344 15 249 81312 94 250 14464 17 253 25280 29 255 62224 72 256 9920 11 261 9376 11 263 67904 78 264 10080 12 265 15712 18 269 16912 20 277 90416 105 278 21408 25 279 34672 40 280 16000 18 281 372800 431 282 72368 84 283 59792 69 284 10480 12 295 10112 12 305 8768 10 307 122320 141 308 35456 41 309 28208 33 339 21008 24 341 16976 20 383 8736 10 385 50816 59 386 10000 12 387 14512 17 403 18928 22 405 11840 14 407 8880 10 409 13360 15 417 15008 17 421 24592 28 433 9200 11 435 89280 103 436 25600 30 437 19776 23 461 14864 17 467 10784 12 //

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