Taurine; LC-ESI-ITFT; MS; POS

Outputs for Taurine; LC-ESI-ITFT; MS; POS

Database: Graduate School of Information Science, NAIST
Entry ID: KNA00272
Synonyms: Taurine, 2-Aminoethanesulfonic acid, Aminoethylsulfonic acid
Total mass: 125.1466
Formula: H7 C2 S1 O3 N1

Structure file (with ALATIS unique atom labels)

Experimental information

MS type: MS
Instrument: LTQ Orbitrap XL, Thermo Scientfic
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks: 128.015557,130.050058,132.498552,134.986925,137.132609,139.522971,141.95881,144.028049,147.966432,149.999429,152.981573,155.143256,157.520106,159.969195,163.133065,165.508635,167.976768,170.096704,172.152879,174.492724,177.498961,180.159404,182.985263,185.114144,188.129475,190.993035,194.117473,199.028604,207.502535,213.995303,216.207181,219.49339,223.063867,226.159014,233.174638,237.012477,240.179785,246.985514,250.201459,253.032242,261.993464,265.965354,270.009819,273.018151,275.069531,277.200773,281.999226,294.226753,299.181639,303.94722,312.962934,320.999557,325.522378,340.501675,345.981074,376.040405,388.028571,391.271198,393.290531,398.032539,402.506726,413.263556,426.35669,429.969597,436.341219,464.371917,475.379199,490.386985,496.509063,501.066518,523.044993,537.95714,616.968906,626.07955,648.115012,741.982912,751.09456,773.078627,1321.992409,
Replicated queried mass peaks: 101.096275, 102.033943, 102.054971, 108.011366, 110.980937, 110.987563, 111.020256, 112.006708, 113.963604, 120.065872, 123.055601, 123.515063, 124.016745, 125.881841, 125.905321, 125.948294, 125.951231, 125.975531, 125.997433, 126.000105, 126.003845, 126.005448, 126.007853, 126.008921, 126.009456, 126.011593, 126.012662, 126.013731, 126.014532, 126.015334, 126.01667, 126.018006, 126.019876, 126.020678, 126.022014, 126.024419, 126.025755, 126.026557, 126.027358, 126.027893, 126.028695, 126.030565, 126.0311, 126.031634, 126.032169, 126.032971, 126.033772, 126.034307, 126.03591, 126.038583, 126.040187, 126.044998, 126.046602, 126.06879, 126.093124, 126.096066, 126.162421, 126.433466, 127.018732, 127.021166, 127.025222, 128.017746, 128.019935, 128.02568, 128.106709, 129.127203, 130.007768, 130.158817, 130.491827, 130.50309, 131.002381, 131.498561, 131.499416, 131.50084, 131.502264, 131.503403, 132.002435, 132.500856, 132.519872, 133.079206, 133.498629, 135.504745, 136.061816, 139.982321, 140.50621, 143.048712, 144.99571, 148.001455, 148.004516, 148.007237, 148.029007, 148.051802, 148.055204, 148.057586, 148.060649, 148.063371, 148.065413, 148.066094, 148.067115, 148.067795, 148.068816, 148.069837, 148.091621, 148.119878, 148.154615, 149.023248, 149.063803, 150.026498, 150.064339, 151.096379, 151.972293, 152.014058, 153.014102, 154.000941, 154.990068, 156.985238, 158.001052, 158.002927, 158.096379, 158.51398, 158.961247, 159.112778, 161.003737, 163.977759, 167.034135, 167.048408, 168.123257, 171.08021, 171.138553, 171.145742, 171.149548, 171.151663, 171.152932, 171.188464, 172.497271, 172.991301, 173.078577, 173.495226, 173.996154, 174.124112, 174.128018, 174.130188, 174.13149, 174.494901, 175.089843, 175.130986, 175.480406, 178.035287, 179.063653, 181.517193, 186.184865, 186.955984, 187.126544, 189.121821, 195.122625, 195.985746, 199.180373, 200.183956, 200.50855, 208.190213, 209.513414, 214.984999, 215.488995, 217.104686, 220.111991, 220.967545, 220.970647, 224.127985, 225.060006, 237.969926, 250.967942, 251.018264, 251.025025, 251.031035, 251.037045, 251.040802, 251.043056, 251.047564, 251.049818, 251.055828, 251.057331, 251.106178, 252.036217, 252.039996, 253.040605, 263.015313, 273.068431, 273.076102, 273.082921, 274.077811, 274.993717, 277.492164, 277.995764, 277.999266, 279.158552, 279.162076, 282.221186, 283.224159, 304.955633, 321.003903, 321.226716, 322.257928, 376.051424, 376.058311, 376.063821, 377.053429, 378.04556, 378.052502, 391.284356, 391.296052, 392.287721, 392.293592, 393.077002, 395.02284, 398.088043, 398.095544, 403.009019, 403.015131, 427.361164, 427.376183, 436.348105, 437.343196, 437.976163, 491.951669, 502.067974, 503.059648, 523.103744, 524.108562, 538.336782, 539.338511, 627.080884, 628.07273, 753.08924, 773.131411,
Processing time: 0:00:00.745145
Queried mass list: ['100.112', '103.001', '107.070', '110.020', '112.051', '115.526', '119.993', '122.964', '125.613']

Queried mass	Num. matched formulas	Num. matched fragments
100.112037 (link to fragments)	1	3
103.001301 (link to fragments)	2	4
107.070205 (link to fragments)	2	4
110.020182 (link to fragments)	2	4
112.050606	No match found!	No match found!
115.525791	No match found!	No match found!
119.992846 (link to fragments)	1	1
122.964377 (link to fragments)	1	1
125.612833 (link to fragments)	1	1